SCHEMBL5010305

SCHEMBL5010305

CN1CCN(c2cccc(Nc3ncnc4[nH]c(C5=CCN(C(=O)OC(C)(C)C)CC5)cc34)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 7/20 0.48
▸ CDK9 P50750 7/20 0.48
▸ KIT P10721 2/20 0.47
▸ MKNK1 Q9BUB5 4/20 0.45
▸ TBK1 Q9UHD2 1/20 0.42
▸ GRM5 P41594 2/20 0.41
▸ GRM1 Q13255 2/20 0.41
▸ NAMPT P43490 1/20 0.40
▸ TTBK1 Q5TCY1 1/20 0.39
▸ TTBK2 Q6IQ55 1/20 0.39
▸ PDK4 Q16654 1/20 0.39
▸ BTK Q06187 1/20 0.39

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
SCHEMBL5004934 0.90 CDK9 (0.47) CCNT1CDK9KITMKNK1TBK1
SCHEMBL5005066 0.88 CDK9 (0.52) CCNT1CDK9KITMKNK1TBK1
SCHEMBL14500390 0.88 CDK9 (0.55) CCNT1CDK9KITTBK1GRM5
SCHEMBL5008148 0.87 CDK9 (0.51) CCNT1CDK9KITMKNK1TBK1
SCHEMBL13994061 0.87 CCNT1 (0.55) CCNT1CDK9KITMKNK1TBK1
SCHEMBL5010266 0.87 CDK9 (0.48) CCNT1CDK9KITMKNK1TBK1
SCHEMBL5008291 0.87 CCNT1 (0.51) CCNT1CDK9KITMKNK1TBK1
SCHEMBL13994142 0.87 CCNT1 (0.47) CCNT1CDK9KITMKNK1TBK1
SCHEMBL13994074 0.86 CCNT1 (0.51) CCNT1CDK9KITMKNK1TBK1
SCHEMBL5010250 0.86 KIT (0.53) CCNT1CDK9KITMKNK1TBK1

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 428/4885KIT 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.

Send feedback