SCHEMBL5005809

SCHEMBL5005809

O=C(CCN1CCCCCC1)N1CC=C(c2cc3c(Nc4ccc5ncsc5c4)ncnc3[nH]2)CC1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 12/20 0.49
▸ CDK9 P50750 12/20 0.49
▸ NAMPT P43490 1/20 0.41
▸ EGFR P00533 5/20 0.41
▸ IRAK4 Q9NWZ3 2/20 0.38

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
SCHEMBL5004883 1.00 CCNT1 (0.49) CCNT1CDK9NAMPTEGFRIRAK4
SCHEMBL5009945 0.99 CCNT1 (0.48) CCNT1CDK9NAMPTEGFRIRAK4
SCHEMBL5004753 0.98 CCNT1 (0.47) CCNT1CDK9NAMPTEGFRIRAK4
SCHEMBL5005015 0.94 CCNT1 (0.44) CCNT1CDK9NAMPTEGFR
SCHEMBL5004929 0.93 CCNT1 (0.42) CCNT1CDK9EGFRIRAK4
SCHEMBL5004741 0.93 CCNT1 (0.41) CCNT1CDK9NAMPTEGFR
SCHEMBL5010289 0.93 CCNT1 (0.41) CCNT1CDK9NAMPTEGFR
SCHEMBL5005884 0.92 CCNT1 (0.42) CCNT1CDK9IRAK4
SCHEMBL5004837 0.92 CCNT1 (0.40) CCNT1CDK9NAMPTEGFR
SCHEMBL5010248 0.92 CCNT1 (0.43) CCNT1CDK9EGFR

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 6 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
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 428/4885NAMPT 3067/4885

“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