SCHEMBL1629419

SCHEMBL1629419

CC(C)C1CCCN(C(=O)CCl)C1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.63
LMNA P02545 1/20 0.63
POLB P06746 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
CPN1 P15169 1/20 0.38
CPB2 Q96IY4 1/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
HTT P42858 2/20 0.38
HPGD P15428 3/20 0.35
GAA P10253 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPC1 O15118 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
PLAT P00750 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24819894 0.90 ALDH1A1 (0.55) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL12384822 0.85 EPHX2 (0.44) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL15827186 0.85 EPHX2 (0.44) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL24844030 0.85 ALDH1A1 (0.44) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL12384823 0.83 SMN1; SMN2 (0.43) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL16886105 0.82 MEN1 (0.53) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL20082923 0.82 MEN1 (0.53) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL12384528 0.82 NAMPT (0.43) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL13741632 0.81 ALDH1A1 (0.41) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL24171560 0.81 ALDH1A1 (0.43) ALDH1A1LMNAPOLBMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 104 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220008424-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2022-01-13 US disclosed
US-20200108072-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. 2020-04-09 US disclosed
US-20180085372-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. 2018-03-29 US disclosed
US-20180085372-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. 2018-03-29 US disclosed
US-20170007611-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. 2017-01-12 US disclosed
US-9409911-B2 Inhibitors of bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2016-08-09 US disclosed
US-9266893-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2016-02-23 US disclosed
US-9212185-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2015-12-15 US disclosed
US-9206189-B2 Inhibitors of bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2015-12-08 US disclosed
US-9193735-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2015-11-24 US disclosed
US-20100004270-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2010-01-07 US disclosed
US-20090181987-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS, INC. (US) 2009-07-16 US disclosed
US-20090181987-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS, INC. (US) 2009-07-16 US disclosed
US-7514444-B2 Inhibitors of bruton's tyrosine kinase PHARMACYCLICS, INC. (US) 2009-04-07 US disclosed
US-20080139582-A1 4-Amino-3-phenyl-1H-pyrazolo[3,4-d]pyrimidine derivatives; can be covalently bonded to Bruton's tyrosine kinase; autoimmune diseases, lymphoma, leukemia; antiproliferative, anticarcinogenic and antiinflammatory agents PHARMACYCLICS, INC. (US) 2008-06-12 US disclosed
US-20080139582-A1 4-Amino-3-phenyl-1H-pyrazolo[3,4-d]pyrimidine derivatives; can be covalently bonded to Bruton's tyrosine kinase; autoimmune diseases, lymphoma, leukemia; antiproliferative, anticarcinogenic and antiinflammatory agents PHARMACYCLICS, INC. (US) 2008-06-12 US disclosed
US-20080108636-A1 compounds that form covalent bonds with Bruton's tyrosine kinase (Btk). Also described are irreversible inhibitors of Btk. Methods for the preparation of the compounds are disclosed. Also disclosed are pharmaceutical compositions that include the compounds. Methods of using the Btk inhibitors are told PHARMACYCLICS, INC. (US) 2008-05-08 US disclosed
US-20080076921-A1 4-Amino-3-phenyl-1H-pyrazolo[3,4-d]pyrimidine derivatives; can be covalently bonded to Bruton's tyrosine kinase; autoimmune diseases, lymphoma, leukemia; antiproliferative, anticarcingogenic and antiinflammatory agents PHARMACYCLICS, INC. (US) 2008-03-27 US disclosed
US-20080076921-A1 4-Amino-3-phenyl-1H-pyrazolo[3,4-d]pyrimidine derivatives; can be covalently bonded to Bruton's tyrosine kinase; autoimmune diseases, lymphoma, leukemia; antiproliferative, anticarcingogenic and antiinflammatory agents PHARMACYCLICS, INC. (US) 2008-03-27 US disclosed
US-3998808-A INSECTICIDES, FUNGICIDES VELSICOL CHEMICAL CORPORATION (US) 1976-12-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200108072-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN ALDH1A1 4459/4885LMNA 3652/4885POLB 1618/4885
US-20220008424-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN ALDH1A1 4459/4885LMNA 3652/4885POLB 1618/4885
US-20170007611-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN ALDH1A1 4459/4885LMNA 3652/4885POLB 1618/4885
US-20100004270-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN ALDH1A1 4459/4885LMNA 3652/4885POLB 1618/4885
US-20180085372-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN ALDH1A1 4459/4885LMNA 3652/4885POLB 1618/4885
US-20090181987-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LCK, LYN ALDH1A1 4461/4885LMNA 4052/4885POLB 1832/4885
US-20080108636-A1 compounds that form covalent bonds with Bruton's tyrosine kinase (Btk). Also described are irreversible inhibitors of Btk. Methods for the preparation of the compounds are disclosed. Also disclosed are pharmaceutical compositions that include the compounds. Methods of using the Btk inhibitors are told BTK, LCK, LYN ALDH1A1 3930/4885LMNA 3672/4885POLB 1631/4885
US-20080139582-A1 4-Amino-3-phenyl-1H-pyrazolo[3,4-d]pyrimidine derivatives; can be covalently bonded to Bruton's tyrosine kinase; autoimmune diseases, lymphoma, leukemia; antiproliferative, anticarcinogenic and antiinflammatory agents BTK, LCK, LYN ALDH1A1 3498/4885LMNA 3938/4885POLB 1526/4885
US-20080076921-A1 4-Amino-3-phenyl-1H-pyrazolo[3,4-d]pyrimidine derivatives; can be covalently bonded to Bruton's tyrosine kinase; autoimmune diseases, lymphoma, leukemia; antiproliferative, anticarcingogenic and antiinflammatory agents BTK, LCK, LYN ALDH1A1 3500/4885LMNA 3962/4885POLB 1568/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.