SCHEMBL5005552

SCHEMBL5005552

CC(C)(C)OC(=O)N1CC=C(c2cc3c(Nc4ccc5ncc(-c6ccccc6)n5c4)ncnc3[nH]2)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 2/20 0.48
▸ CCNT1 O60563 4/20 0.46
▸ CDK9 P50750 4/20 0.46
▸ TBK1 Q9UHD2 1/20 0.41
▸ NAMPT P43490 1/20 0.41
▸ GRM5 P41594 3/20 0.40
▸ GRM1 Q13255 3/20 0.40
▸ TNK2 Q07912 1/20 0.38
▸ MKNK1 Q9BUB5 2/20 0.38
▸ BTK Q06187 2/20 0.38
▸ HTR6 P50406 1/20 0.38
▸ FGFR1 P11362 1/20 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
SCHEMBL5004784 0.90 CDK9 (0.45) KITCCNT1CDK9TBK1NAMPT
SCHEMBL5661931 0.90 CCNT1 (0.53) KITCCNT1CDK9TBK1NAMPT
SCHEMBL5010165 0.90 CCNT1 (0.40) CCNT1CDK9GRM5GRM1BTK
SCHEMBL5008348 0.89 CCNT1 (0.48) KITCCNT1CDK9TBK1NAMPT
SCHEMBL5005579 0.86 CCNT1 (0.46) KITCCNT1CDK9TBK1BTK
SCHEMBL13994061 0.86 CCNT1 (0.55) KITCCNT1CDK9TBK1NAMPT
SCHEMBL5008288 0.85 CCNT1 (0.48) KITCCNT1CDK9TBK1NAMPT
SCHEMBL5010250 0.85 KIT (0.53) KITCCNT1CDK9TBK1NAMPT
SCHEMBL5010220 0.84 CCNT1 (0.44) KITCCNT1CDK9TBK1BTK
SCHEMBL5001558 0.84 CCNT1 (0.44) KITCCNT1CDK9TBK1FGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060211678-A1 Aryl-amino substituted pyrrolopyrimidine multi-kinase inhibiting compounds OSI PHARMACEUTICALS, INC. 2006-09-21 — — US claimed
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 KIT 591/4885CCNT1 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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