SCHEMBL5008148

SCHEMBL5008148

CN1CCN(c2cc(Nc3ncnc4[nH]c(C5=CCN(C(=O)OC(C)(C)C)CC5)cc34)ccc2F)CC1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 12/20 0.51
▸ CCNT1 O60563 10/20 0.51
▸ KIT P10721 2/20 0.44
▸ BTK Q06187 3/20 0.43
▸ GRM5 P41594 1/20 0.42
▸ GRM1 Q13255 1/20 0.42
▸ TBK1 Q9UHD2 1/20 0.42
▸ MKNK1 Q9BUB5 1/20 0.41

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
SCHEMBL5005862 0.90 CCNT1 (0.43) CDK9CCNT1BTKGRM5GRM1
SCHEMBL5001899 0.89 CDK9 (0.49) CDK9CCNT1BTKTBK1
SCHEMBL5008114 0.88 CDK9 (0.53) CDK9CCNT1BTKTBK1
SCHEMBL5662093 0.88 CDK9 (0.58) CDK9CCNT1TBK1
SCHEMBL5005395 0.88 CDK9 (0.51) CDK9CCNT1KITBTKGRM5
SCHEMBL5005883 0.88 CDK9 (0.49) CDK9CCNT1KITBTKTBK1
SCHEMBL5005293 0.88 CDK9 (0.52) CDK9CCNT1BTKTBK1MKNK1
SCHEMBL5010305 0.87 CCNT1 (0.48) CDK9CCNT1KITBTKGRM5
SCHEMBL5005066 0.87 CDK9 (0.52) CDK9CCNT1KITGRM5GRM1
SCHEMBL5010266 0.86 CDK9 (0.48) CDK9CCNT1KITBTKTBK1

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
CN-101052629-A Aryl-amino substituted pyrrolopyrimidine multi-kinase inhibiting compounds OSI PHARM INC (US) 2007-10-10 — — CN claimed
EP-1797054-A2 ARYL-AMINO SUBSTITUTED PYRROLOPYRIMIDINE MULTI-KINASE INHIBITING COMPOUNDS OSI Pharmaceuticals, Inc. (US) 2007-06-20 — — EP claimed
US-20060211678-A1 Aryl-amino substituted pyrrolopyrimidine multi-kinase inhibiting compounds OSI PHARMACEUTICALS, INC. 2006-09-21 — — US claimed
WO-2006017443-A2 ARYL-AMINO SUBSTITUTED PYRROLOPYRIMIDINE MULTI-KINASE INHIBITING COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2006-02-16 — — WO claimed
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 1580/4885KIT 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.

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