SCHEMBL5008365

SCHEMBL5008365

CC(C)(C)OC(=O)N1CC=C(c2cc3c(Nc4ccc5scnc5c4)ncnc3[nH]2)CC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RIPK2 O43353 9/20 0.53
▸ CCNT1 O60563 2/20 0.49
▸ CDK9 P50750 2/20 0.49
▸ MKNK1 Q9BUB5 4/20 0.44
▸ TBK1 Q9UHD2 1/20 0.42
▸ KIT P10721 2/20 0.42
▸ GAK O14976 1/20 0.41
▸ NOD2 Q9HC29 1/20 0.41
▸ PDE10A Q9Y233 1/20 0.40
▸ RIPK3 Q9Y572 1/20 0.40
▸ DYRK2 Q92630 1/20 0.40

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
SCHEMBL5005640 0.94 CCNT1 (0.49) RIPK2CCNT1CDK9MKNK1TBK1
SCHEMBL13994533 0.89 RIPK2 (0.42) RIPK2CCNT1CDK9GAKNOD2
SCHEMBL5005677 0.88 RIPK2 (0.45) RIPK2RIPK3
SCHEMBL5010180 0.88 RIPK2 (0.45) RIPK2RIPK3
SCHEMBL5008254 0.86 CCNT1 (0.48) RIPK2CCNT1CDK9MKNK1TBK1
SCHEMBL13994113 0.86 CCNT1 (0.48) RIPK2CCNT1CDK9MKNK1TBK1
SCHEMBL5005662 0.85 CCNT1 (0.49) CCNT1CDK9MKNK1TBK1KIT
SCHEMBL13994061 0.85 CCNT1 (0.55) CCNT1CDK9MKNK1TBK1KIT
SCHEMBL5008092 0.85 CCNT1 (0.50) CCNT1CDK9TBK1
SCHEMBL13994065 0.84 CCNT1 (0.51) CCNT1CDK9MKNK1TBK1KIT

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 4 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
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 RIPK2 345/4885CCNT1 1580/4885CDK9 428/4885

“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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