SCHEMBL10241495

SCHEMBL10241495

CC1CCCN(C(=O)/C=C/CN(C)C)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
HPGD P15428 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
LMNA P02545 1/20 0.49
JAK3 P52333 5/20 0.47
POLB P06746 2/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
EGFR P00533 3/20 0.43
BTK Q06187 3/20 0.42
RECQL P46063 1/20 0.40
PTGS2 P35354 1/20 0.40
LCK P06239 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39

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
SCHEMBL10283866 1.00 ALDH1A1 (0.51) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL27451704 1.00 ALDH1A1 (0.51) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL19353252 1.00 ALDH1A1 (0.51) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL24348777 0.96 ALDH1A1 (0.47) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL27451749 0.92 JAK3 (0.43) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL18909618 0.92 JAK3 (0.43) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL23547437 0.92 JAK3 (0.43) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL18904853 0.92 JAK3 (0.43) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL462693 0.85 HPGD (0.46) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL27451677 0.85 POLB (0.49) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3426637-B1 COMPOUNDS AND METHODS FOR MODULATING BRUTON'S TYROSINE KINASE ANGEL PHARMACEUTICAL CO LTD (CN) 2022-02-09 EP disclosed
EP-2529622-B1 Inhibitors of bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2018-01-17 EP disclosed
EP-2307025-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS PHARMACYCLICS LLC (US) 2017-09-20 EP disclosed
WO-2017156495-A1 COMPOUNDS AND METHODS FOR MODULATING BRUTON'S TYROSINE KINASE CORVUS PHARMACEUTICALS, INC. (US) 2017-09-14 WO disclosed
US-20160361315-A1 IBRUTINIB PRODRUGS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE NGUYEN MARK QUANG (US) 2016-12-15 US disclosed
US-9394312-B1 Ibrutinib prodrugs, pharmaceutical compositions thereof, and methods of use Nguyen, Mark Quang (US) 2016-07-19 US disclosed
US-8975266-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS, INC. (US) 2015-03-10 US disclosed
US-8957079-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS, INC. (US) 2015-02-17 US disclosed
US-8952015-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS, INC. (US) 2015-02-10 US disclosed
US-8759516-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS, INC. (US) 2014-06-24 US disclosed
US-8754091-B2 Inhibitors of bruton's tyrosine kinase PHARMACYCLICS, INC. (US) 2014-06-17 US disclosed
US-8748439-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS, INC. (US) 2014-06-10 US disclosed
US-8748438-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS, INC. (US) 2014-06-10 US disclosed
US-8741908-B2 Inhibitors of bruton's tyrosine kinase PHARMACYCLICS, INC. (US) 2014-06-03 US disclosed
US-8735403-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS, INC. (US) 2014-05-27 US disclosed
US-8735404-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS, INC. (US) 2014-05-27 US disclosed
US-8658653-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS, INC. (US) 2014-02-25 US disclosed
US-8158786-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS, INC. (US) 2012-04-17 US disclosed
US-20110257203-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE Phamarcyclics, Inc. (US) 2011-10-20 US disclosed
US-20100022561-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2010-01-28 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 (3 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-20110257203-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN ALDH1A1 4459/4885HPGD 2986/4885SMN1; SMN2 4262/4885
US-20100022561-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN ALDH1A1 4459/4885HPGD 2986/4885SMN1; SMN2 4262/4885
US-20160361315-A1 IBRUTINIB PRODRUGS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE BTK, SYK, BCL9 ALDH1A1 2864/4885HPGD 1921/4885SMN1; SMN2 4276/4885

“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.