SCHEMBL5001708

SCHEMBL5001708

CC(C)(C)OC(=O)N1CC=C(c2cc3c(Cl)ncnc3n2S(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.53
GRM1 Q13255 11/20 0.47
GRM5 P41594 11/20 0.47
PDK4 Q16654 1/20 0.44
KIT P10721 1/20 0.43
GPR119 Q8TDV5 2/20 0.41
CNR1 P21554 1/20 0.41
NAMPT P43490 1/20 0.40
TNK2 Q07912 1/20 0.40

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
SCHEMBL29607952 0.93 KIT (0.49) HTR6GRM1GRM5PDK4KIT
SCHEMBL15525366 0.93 KIT (0.49) HTR6GRM1GRM5PDK4KIT
SCHEMBL16040458 0.86 HTR6 (0.51) HTR6GRM1GRM5PDK4GPR119
SCHEMBL16048880 0.85 CCNT1 (0.39) HTR6GRM1GRM5
SCHEMBL4318186 0.85 HTR6 (0.53) HTR6GRM1GRM5PDK4GPR119
SCHEMBL23121219 0.83 EGLN1 (0.39) KIT
SCHEMBL16049042 0.82 HTR6 (0.48) HTR6GRM1GRM5KIT
SCHEMBL16035864 0.82 KIT (0.46) HTR6GRM1GRM5PDK4KIT
SCHEMBL16039939 0.81 HTR6 (0.51) HTR6GRM1GRM5PDK4
SCHEMBL16048735 0.81 HTR6 (0.47) HTR6GRM1GRM5PDK4KIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9346813-B2 Substituted pyrrolo[2,3-d]pyrimindines as CDK9 kinase inhibitors ABBVIE INC. (US) 2016-05-24 US disclosed
EP-2970268-A1 CDK9 KINASE INHIBITORS AbbVie Inc. (US) 2016-01-20 EP disclosed
US-8969375-B2 CDK9 kinase inhibitors ABBVIE, INC. (US) 2015-03-03 US disclosed
WO-2014159999-A1 CDK9 KINASE INHIBITORS ABBVIE INC. (US) 2014-10-02 WO disclosed
US-20140275153-A1 CDK9 KINASE INHIBITORS ABBIVE INC. 2014-09-18 US disclosed
US-20140275004-A1 PYRROLOPYRIMINDINE CDK9 KINASE INHIBITORS ABBVIE INC. 2014-09-18 US disclosed
US-7465726-B2 Substituted pyrrolo[2.3-B]pyridines OSI PHARMACEUTICALS, INC. (US) 2008-12-16 US disclosed
US-7465726-B2 Substituted pyrrolo[2.3-B]pyridines OSI PHARMACEUTICALS, INC. (US) 2008-12-16 US disclosed
US-7465726-B2 Substituted pyrrolo[2.3-B]pyridines OSI PHARMACEUTICALS, INC. (US) 2008-12-16 US disclosed
CN-101052629-A Aryl-amino substituted pyrrolopyrimidine multi-kinase inhibiting compounds OSI PHARM INC (US) 2007-10-10 CN disclosed
EP-1797054-A2 ARYL-AMINO SUBSTITUTED PYRROLOPYRIMIDINE MULTI-KINASE INHIBITING COMPOUNDS OSI Pharmaceuticals, Inc. (US) 2007-06-20 EP disclosed
US-20060211678-A1 Aryl-amino substituted pyrrolopyrimidine multi-kinase inhibiting compounds OSI PHARMACEUTICALS, INC. 2006-09-21 US disclosed
WO-2006017443-A2 ARYL-AMINO SUBSTITUTED PYRROLOPYRIMIDINE MULTI-KINASE INHIBITING COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2006-02-16 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 (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-20060211678-A1 Aryl-amino substituted pyrrolopyrimidine multi-kinase inhibiting compounds BMX, ERBB2, FRK HTR6 2912/4885GRM1 842/4885GRM5 1387/4885
US-20140275153-A1 CDK9 KINASE INHIBITORS CDK9, CDK19, CDK10 HTR6 3953/4885GRM1 2697/4885GRM5 3128/4885
US-20140275004-A1 PYRROLOPYRIMINDINE CDK9 KINASE INHIBITORS CDK9, CDK19, CDK3 HTR6 3870/4885GRM1 1805/4885GRM5 2051/4885

“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.