SCHEMBL16074977

SCHEMBL16074977

C=CC(=O)N1CCC2(CC(C(C)C)C2)C1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BTK Q06187 15/20 0.39
TXK P42681 6/20 0.37
ITK Q08881 6/20 0.37
TEC P42680 5/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
TET3 O43151 1/20 0.36
KMT2A Q03164 1/20 0.36
FBXL19 Q6PCT2 1/20 0.36
CXXC5 Q7LFL8 1/20 0.36
TET1 Q8NFU7 1/20 0.36
KDM2B Q8NHM5 1/20 0.36
CXXC4 Q9H2H0 1/20 0.36
KDM2A Q9Y2K7 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36

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
SCHEMBL21303477 1.00 BTK (0.39) BTKTXKITKTECALDH1A1
SCHEMBL16375283 0.92 KMT2A (0.40) BTKCYP1A2CYP2C9TET3KMT2A
SCHEMBL16375281 0.91 CYP2D6 (0.41) BTKALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL15474352 0.89 BTK (0.41) BTK
SCHEMBL26294933 0.83 BTK (0.36) BTKTET3KMT2AFBXL19CXXC5
SCHEMBL16375282 0.83 JAK3 (0.35) BTKTET3KMT2AFBXL19CXXC5
SCHEMBL19892203 0.82 BTK (0.41) BTKTXKITKTECTET3
SCHEMBL15474354 0.82 BTK (0.41) BTKTXKITKTECTET3
SCHEMBL18256186 0.82 CYP3A4 (0.43) ALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL15474363 0.78 BTK (0.39) BTKTXKITKTECTET3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019040512-A1 BENZIMIDAZOLE COMPOUNDS AS KINASE INHIBITORS GB005, INC. (US) 2019-02-28 WO disclosed
US-20180086748-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2018-03-29 US disclosed
US-20180086748-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2018-03-29 US disclosed
US-9828364-B2 Pyrazole compounds as BTK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-11-28 US disclosed
US-9828364-B2 Pyrazole compounds as BTK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-11-28 US disclosed
US-20160340339-A1 PYRAZOLE COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-11-24 US disclosed
US-20160340339-A1 PYRAZOLE COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-11-24 US disclosed
US-20160031872-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2016-02-04 US disclosed
US-8940893-B2 Heteroaromatic compounds as BTK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-27 US disclosed
US-8940893-B2 Heteroaromatic compounds as BTK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-27 US disclosed
US-20140275014-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-18 US disclosed
US-20140275014-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-18 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 (4 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-20140275014-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BTK, SYK, LYN BTK 1/4885TXK 211/4885ITK 305/4885
US-20160340339-A1 PYRAZOLE COMPOUNDS AS BTK INHIBITORS BTK, SYK, LYN BTK 1/4885TXK 150/4885ITK 172/4885
US-20180086748-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BTK, SYK, LCK BTK 1/4885TXK 161/4885ITK 392/4885
US-20160031872-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BTK, SYK, LCK BTK 1/4885TXK 161/4885ITK 392/4885

“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.