SCHEMBL19353256

SCHEMBL19353256

CC#CC(=O)N1CCCC(C)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
LMNA P02545 2/20 0.54
POLB P06746 3/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
RECQL P46063 1/20 0.47
HPGD P15428 6/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
BTK Q06187 1/20 0.42
GAA P10253 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL19353266 1.00 ALDH1A1 (0.54) ALDH1A1LMNAPOLBMEN1MAPT
SCHEMBL10264659 1.00 ALDH1A1 (0.54) ALDH1A1LMNAPOLBMEN1MAPT
SCHEMBL19353399 0.91 ALDH1A1 (0.43) ALDH1A1LMNAPOLBMEN1MAPT
SCHEMBL20892899 0.91 ALDH1A1 (0.43) ALDH1A1LMNAPOLBMEN1MAPT
SCHEMBL22622366 0.81 ALDH1A1 (0.50) ALDH1A1LMNAPOLBMEN1MAPT
SCHEMBL24244433 0.80 BTK (0.41) ALDH1A1LMNAPOLBMEN1MAPT
SCHEMBL20892965 0.80 BTK (0.39) ALDH1A1LMNAHPGDBTK
SCHEMBL18431410 0.80 BTK (0.39) ALDH1A1LMNAHPGDBTK
SCHEMBL410338 0.80 BTK (0.39) ALDH1A1LMNAHPGDBTK
SCHEMBL15472500 0.80 BTK (0.41) ALDH1A1LMNABTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4006035-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER Neupharma, Inc. (US) 2022-06-01 EP disclosed
EP-3426637-B1 COMPOUNDS AND METHODS FOR MODULATING BRUTON'S TYROSINE KINASE ANGEL PHARMACEUTICAL CO LTD (CN) 2022-02-09 EP disclosed
US-20200276199-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS PHARMACYCLICS LLC 2020-09-03 US disclosed
US-20200055859-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC (US) 2020-02-20 US 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

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

For each of this compound's patents that has machine-readable text (2 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-20200055859-A1 INHIBITORS OF BRUTONS TYROSINE KINASE ABL1, BTK, ABL2 ALDH1A1 4019/4885LMNA 2491/4885POLB 1841/4885
US-20200276199-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS BTK, ABL1, LYN ALDH1A1 4521/4885LMNA 2990/4885POLB 1803/4885

“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.