SCHEMBL5005001

SCHEMBL5005001

CC(C)(C)OC(=O)N1CC=C(c2cc3c(Cl)ncnc3[nH]2)CC1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 12/20 0.58
▸ CDK9 P50750 12/20 0.58
▸ KIT P10721 2/20 0.50
▸ TBK1 Q9UHD2 1/20 0.49
▸ CNR1 P21554 1/20 0.46
▸ JAK1 P23458 1/20 0.45
▸ BTK Q06187 3/20 0.44

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
SCHEMBL32667806 0.87 CCNT1 (0.57) CCNT1CDK9KITTBK1
SCHEMBL22476358 0.87 CCNT1 (0.55) CCNT1CDK9KITTBK1CNR1
SCHEMBL30603869 0.87 CCNT1 (0.55) CCNT1CDK9KITTBK1CNR1
SCHEMBL5665564 0.85 CDK9 (0.66) CCNT1CDK9TBK1
SCHEMBL13994153 0.85 CCNT1 (0.51) CCNT1CDK9KITTBK1CNR1
SCHEMBL5008327 0.84 CCNT1 (0.45) CCNT1CDK9BTK
SCHEMBL16793993 0.84 CDK9 (0.51) CCNT1CDK9KITTBK1CNR1
SCHEMBL5008189 0.83 CDK9 (0.55) CCNT1CDK9KITTBK1CNR1
SCHEMBL13994301 0.83 CCNT1 (0.53) CCNT1CDK9KITTBK1JAK1
SCHEMBL14646806 0.82 CCNT1 (0.58) CCNT1CDK9BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9233111-B2 Pyrrolo pyrimidine derivatives NOVARTIS AG (CH) 2016-01-12 — — US disclosed
US-9233111-B2 Pyrrolo pyrimidine derivatives NOVARTIS AG (CH) 2016-01-12 — — US disclosed
US-9233111-B2 Pyrrolo pyrimidine derivatives NOVARTIS AG (CH) 2016-01-12 — — US disclosed
EP-2729466-B1 NOVEL PYRROLO PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2015-08-19 — — EP disclosed
EP-2729466-B1 NOVEL PYRROLO PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2015-08-19 — — EP disclosed
US-20140243306-A1 NOVEL PYRROLO PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2014-08-28 — — US disclosed
US-20140243306-A1 NOVEL PYRROLO PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2014-08-28 — — US disclosed
US-20140243306-A1 NOVEL PYRROLO PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2014-08-28 — — US disclosed
WO-2013008095-A1 NOVEL PYRROLO PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2013-01-17 — — WO 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 (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-20060211678-A1 Aryl-amino substituted pyrrolopyrimidine multi-kinase inhibiting compounds BMX, ERBB2, FRK CCNT1 1580/4885CDK9 428/4885KIT 591/4885
US-20140243306-A1 NOVEL PYRROLO PYRIMIDINE DERIVATIVES BTK, LCK, ZAP70 CCNT1 1574/4885CDK9 180/4885KIT 580/4885

“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.

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