SCHEMBL11931386

SCHEMBL11931386

CC1(C)OB(c2cnn(Cc3ccccc3C#N)c2)OC1(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 1/20 0.50
FFAR1 O14842 1/20 0.48
TAS2R8 Q9NYW2 3/20 0.40
CYP19A1 P11511 1/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPBWR1 P48145 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
JAK3 P52333 1/20 0.36
GALR3 O60755 1/20 0.36
RAB9A P51151 1/20 0.36
LPL P06858 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
TSHR P16473 2/20 0.34
TEC P42680 1/20 0.34
TXK P42681 1/20 0.34
BMX P51813 1/20 0.34
BTK Q06187 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
SCHEMBL14543045 0.90 CREBBP (0.44) CREBBPFFAR1TAS2R8CYP19A1ALDH1A1
SCHEMBL15652104 0.84 FFAR1 (0.44) CREBBPFFAR1TAS2R8CYP19A1JAK2
SCHEMBL14858051 0.83 FFAR1 (0.44) CREBBPFFAR1ALDH1A1MAPTLPL
SCHEMBL29801124 0.83 FFAR1 (0.44) CREBBPFFAR1ALDH1A1MAPTLPL
SCHEMBL19002021 0.82 FFAR1 (0.45) CREBBPFFAR1TAS2R8ALDH1A1MAPT
SCHEMBL16968933 0.82 FFAR1 (0.52) FFAR1TAS2R8ALDH1A1MAPTSMN1; SMN2
SCHEMBL14857591 0.81 FFAR1 (0.51) FFAR1ALDH1A1MAPTSMN1; SMN2RAB9A
SCHEMBL14858305 0.81 FFAR1 (0.51) FFAR1ALDH1A1MAPTLPLLIPG
SCHEMBL15653178 0.81 FFAR1 (0.54) FFAR1ALDH1A1MAPTSMN1; SMN2LPL
SCHEMBL15562349 0.81 ALDH1A1 (0.55) FFAR1TAS2R8ALDH1A1MAPTLPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4056562-A1 HETEROCYCLIC INHIBITORS OF BRUTON'S TYROSINE KINASE Merck Patent GmbH (DE) 2022-09-14 EP disclosed
US-20210009567-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2021-01-14 US disclosed
US-20200055843-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2020-02-20 US disclosed
CN-106831732-B Compositions and methods for producing pyrimidine and pyridine compounds having BTK inhibitory activity 默克专利有限公司 2019-12-24 CN disclosed
US-10413562-B2 Compositions and methods for the production of pyrimidine and pyridine compounds with BTK inhibitory activity MERCK PATENT GMBH (DE) 2019-09-17 US disclosed
US-20190092759-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2019-03-28 US disclosed
US-20180243324-A1 COMPOSITIONS AND METHODS FOR THE PRODUCTION OF PYRIMIDINE AND PYRIDINE COMPOUNDS WITH BTK INHIBITORY ACTIVITY MERCK PATENT GMBH (DE) 2018-08-30 US disclosed
US-20180222893-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2018-08-09 US disclosed
US-20180222893-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2018-08-09 US disclosed
US-10016448-B2 Compositions and methods for the production of pyrimidine and pyridine compounds with BTK inhibitory activity MERCK PATENT GMBH (DE) 2018-07-10 US disclosed
US-20100125068-A1 METHODS FOR INHIBITING PROTEIN KINASES SCHERING CORPORATION 2010-05-20 US disclosed
US-20100125068-A1 METHODS FOR INHIBITING PROTEIN KINASES SCHERING CORPORATION 2010-05-20 US disclosed
US-7605155-B2 Substituted pyrazolo[1,5-a]pyrimidines as protein kinase inhibitors SCHERING CORPORATION (US) 2009-10-20 US disclosed
US-7605155-B2 Substituted pyrazolo[1,5-a]pyrimidines as protein kinase inhibitors SCHERING CORPORATION (US) 2009-10-20 US disclosed
WO-2008045267-A2 PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2008-04-17 WO disclosed
WO-2007044441-A2 USE OF PYRAZOLO [1 , 5 -A] PYRIMIDINE DERIVATIVES FOR INHIBITING PROTEIN KINASES METHODS FOR INHIBITING PROTEIN KINASES SCHERING CORPORATION (US) 2007-04-19 WO disclosed
US-20070082900-A1 Methods for inhibiting protein kinases SCHERING CORPORATION 2007-04-12 US disclosed
US-20070082900-A1 Methods for inhibiting protein kinases SCHERING CORPORATION 2007-04-12 US disclosed
US-20070072881-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2007-03-29 US disclosed
US-20070072881-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2007-03-29 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 (10 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-10016448-B2 Compositions and methods for the production of pyrimidine and pyridine compounds with BTK inhibitory activity BTK, SYK, LCK CREBBP 2074/4885FFAR1 3238/4885TAS2R8 2639/4885
US-20180222893-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BTK, SYK, LCK CREBBP 1477/4885FFAR1 4479/4885TAS2R8 4642/4885
US-20070082900-A1 Methods for inhibiting protein kinases PIM1, AURKC, PIM3 CREBBP 1310/4885FFAR1 4804/4885TAS2R8 4751/4885
US-20180243324-A1 COMPOSITIONS AND METHODS FOR THE PRODUCTION OF PYRIMIDINE AND PYRIDINE COMPOUNDS WITH BTK INHIBITORY ACTIVITY BTK, SYK, LCK CREBBP 2074/4885FFAR1 3238/4885TAS2R8 2639/4885
US-20200055843-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BTK, SYK, LCK CREBBP 1477/4885FFAR1 4479/4885TAS2R8 4642/4885
US-10413562-B2 Compositions and methods for the production of pyrimidine and pyridine compounds with BTK inhibitory activity BTK, SYK, LCK CREBBP 2074/4885FFAR1 3238/4885TAS2R8 2639/4885
US-20100125068-A1 METHODS FOR INHIBITING PROTEIN KINASES PIM1, AURKC, PIM3 CREBBP 1310/4885FFAR1 4804/4885TAS2R8 4751/4885
US-20190092759-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BTK, SYK, LCK CREBBP 1477/4885FFAR1 4479/4885TAS2R8 4642/4885
US-20210009567-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BTK, SYK, LCK CREBBP 1477/4885FFAR1 4479/4885TAS2R8 4642/4885
US-20070072881-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDKN1A CREBBP 552/4885FFAR1 4610/4885TAS2R8 4672/4885

“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.