SCHEMBL5005883

SCHEMBL5005883

CN1CCC(c2cc(Nc3ncnc4[nH]c(C5=CCN(C(=O)OC(C)(C)C)CC5)cc34)ccc2F)CC1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 11/20 0.49
▸ CCNT1 O60563 9/20 0.49
▸ BTK Q06187 5/20 0.44
▸ TBK1 Q9UHD2 1/20 0.43
▸ JAK1 P23458 1/20 0.40
▸ KIT P10721 1/20 0.40
▸ MKNK1 Q9BUB5 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
SCHEMBL5005679 0.96 CDK9 (0.48) CDK9CCNT1BTKTBK1JAK1
SCHEMBL5005585 0.96 CDK9 (0.48) CDK9CCNT1BTKTBK1JAK1
SCHEMBL5005588 0.96 CDK9 (0.48) CDK9CCNT1BTKTBK1JAK1
SCHEMBL13994162 0.89 BTK (0.43) CDK9CCNT1BTK
SCHEMBL14500438 0.89 CDK9 (0.56) CDK9CCNT1TBK1
SCHEMBL5008148 0.88 CDK9 (0.51) CDK9CCNT1BTKTBK1KIT
SCHEMBL13994142 0.87 CCNT1 (0.47) CDK9CCNT1BTKTBK1JAK1
SCHEMBL5008114 0.86 CDK9 (0.53) CDK9CCNT1BTKTBK1JAK1
SCHEMBL5005293 0.86 CDK9 (0.52) CDK9CCNT1BTKTBK1MKNK1
SCHEMBL5001899 0.85 CDK9 (0.49) CDK9CCNT1BTKTBK1

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 5 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
US-20060211678-A1 Aryl-amino substituted pyrrolopyrimidine multi-kinase inhibiting compounds OSI PHARMACEUTICALS, INC. 2006-09-21 — — 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 (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 CDK9 428/4885CCNT1 1580/4885BTK 7/4885

“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