SCHEMBL5002057

SCHEMBL5002057

CC(C)(C)OC(=O)N1CC=C(c2cc3c(Nc4cccc(-c5ncc[nH]5)c4)ncnc3[nH]2)CC1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 10/20 0.49
▸ CDK9 P50750 10/20 0.49
▸ KIT P10721 2/20 0.46
▸ TBK1 Q9UHD2 1/20 0.44
▸ MKNK1 Q9BUB5 4/20 0.44
▸ JAK1 P23458 1/20 0.40
▸ BTK Q06187 1/20 0.40
▸ NAMPT P43490 1/20 0.39

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
SCHEMBL5008373 0.90 CCNT1 (0.48) CCNT1CDK9KITTBK1MKNK1
SCHEMBL5010250 0.90 KIT (0.53) CCNT1CDK9KITTBK1MKNK1
SCHEMBL5001505 0.89 CCNT1 (0.43) CCNT1CDK9BTK
SCHEMBL14500435 0.89 CCNT1 (0.55) CCNT1CDK9KITTBK1
SCHEMBL13994075 0.89 CCNT1 (0.49) CCNT1CDK9KITTBK1MKNK1
SCHEMBL13994530 0.88 KIT (0.46) CCNT1CDK9KITTBK1MKNK1
SCHEMBL5001843 0.88 CCNT1 (0.54) CCNT1CDK9TBK1BTK
SCHEMBL13994079 0.88 CDK9 (0.47) CCNT1CDK9KITTBK1MKNK1
SCHEMBL13994080 0.88 CCNT1 (0.49) CCNT1CDK9KITTBK1MKNK1
SCHEMBL13994081 0.88 KIT (0.56) CCNT1CDK9KITTBK1MKNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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

“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.

Send feedback