SCHEMBL5008291

SCHEMBL5008291

CC(C)(C)OC(=O)N1CC=C(c2cc3c(Nc4cccc(I)c4)ncnc3[nH]2)CC1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 8/20 0.51
▸ CDK9 P50750 8/20 0.51
▸ MKNK1 Q9BUB5 4/20 0.49
▸ KIT P10721 2/20 0.46
▸ TBK1 Q9UHD2 1/20 0.44
▸ BTK Q06187 2/20 0.42
▸ PDK4 Q16654 1/20 0.41
▸ NAMPT P43490 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
SCHEMBL13994061 0.91 CCNT1 (0.55) CCNT1CDK9MKNK1KITTBK1
SCHEMBL13994074 0.90 CCNT1 (0.51) CCNT1CDK9MKNK1KITTBK1
SCHEMBL13994128 0.90 CCNT1 (0.51) CCNT1CDK9MKNK1KITTBK1
SCHEMBL5010250 0.90 KIT (0.53) CCNT1CDK9MKNK1KITTBK1
SCHEMBL13994066 0.88 CCNT1 (0.49) CCNT1CDK9MKNK1KITTBK1
SCHEMBL13994108 0.88 CCNT1 (0.51) CCNT1CDK9MKNK1KITTBK1
SCHEMBL5005411 0.87 CCNT1 (0.43) CCNT1CDK9BTK
SCHEMBL5008092 0.87 CCNT1 (0.50) CCNT1CDK9TBK1
SCHEMBL5010305 0.87 CCNT1 (0.48) CCNT1CDK9MKNK1KITTBK1
SCHEMBL5008373 0.87 CCNT1 (0.48) CCNT1CDK9MKNK1KITTBK1

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 CCNT1 1580/4885CDK9 428/4885MKNK1 143/4885

“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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