SCHEMBL5005532

SCHEMBL5005532

Cn1cnc2ccc(Nc3ncnc4[nH]c(C5=CCN(C(=O)OC(C)(C)C)CC5)cc34)cc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 5/20 0.49
▸ CDK9 P50750 5/20 0.49
▸ TBK1 Q9UHD2 1/20 0.42
▸ KIT P10721 3/20 0.42
▸ GABRP O00591 1/20 0.42
▸ GABRD O14764 1/20 0.42
▸ GABRA1 P14867 1/20 0.42
▸ GABRB1 P18505 1/20 0.42
▸ GABRG2 P18507 1/20 0.42
▸ GABRB3 P28472 1/20 0.42
▸ GABRA5 P31644 1/20 0.42
▸ GABRA3 P34903 1/20 0.42
▸ GABRA2 P47869 1/20 0.42
▸ GABRB2 P47870 1/20 0.42
▸ GABRA4 P48169 1/20 0.42
▸ GABRE P78334 1/20 0.42
▸ GABRA6 Q16445 1/20 0.42
▸ GABRG1 Q8N1C3 1/20 0.42
▸ GABRG3 Q99928 1/20 0.42
▸ GABRQ Q9UN88 1/20 0.42

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
SCHEMBL5010130 0.91 CDK9 (0.46) CCNT1CDK9TBK1KITGABRP
SCHEMBL5004688 0.89 CCNT1 (0.46) CCNT1CDK9TBK1KITGABRP
SCHEMBL5004796 0.89 CCNT1 (0.45) CCNT1CDK9TBK1KITGABRP
SCHEMBL5001710 0.89 CCNT1 (0.40) CCNT1CDK9BTK
SCHEMBL5005390 0.88 CCNT1 (0.44) CCNT1CDK9TBK1KITGABRP
SCHEMBL14500458 0.88 CDK9 (0.56) CCNT1CDK9TBK1GABRPGABRD
SCHEMBL5009893 0.86 CCNT1 (0.44) CCNT1CDK9TBK1KITGABRP
SCHEMBL13994103 0.85 CCNT1 (0.49) CCNT1CDK9TBK1KITGABRP
SCHEMBL5004983 0.85 CDK9 (0.51) CCNT1CDK9TBK1KITMKNK1
SCHEMBL5005640 0.85 CCNT1 (0.49) CCNT1CDK9TBK1KITMKNK1

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 CCNT1 1580/4885CDK9 428/4885TBK1 637/4885

“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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