SCHEMBL5999180

SCHEMBL5999180

CCOC(=O)c1cccc(Nc2nccc(-c3sc(NCCCCNC(=O)OC(C)(C)C)nc3C(F)(F)F)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 3/20 0.49
▸ CDK2 P24941 8/20 0.47
▸ CDK9 P50750 6/20 0.47
▸ CDK1 P06493 6/20 0.47
▸ CCNT1 O60563 5/20 0.47
▸ CCNA2 P20248 5/20 0.47
▸ CDK7 P50613 5/20 0.47
▸ CCNB1 P14635 4/20 0.47
▸ CCNH P51946 4/20 0.47
▸ CCNA1 P78396 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ ABL1 P00519 3/20 0.40
▸ BCR P11274 2/20 0.40
▸ SRC P12931 2/20 0.40
▸ PI4KB Q9UBF8 1/20 0.40
▸ EGFR P00533 3/20 0.39
▸ AURKA O14965 2/20 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
SCHEMBL6852913 0.92 SYK (0.48) SYKCDK2CDK9CDK1CCNT1
SCHEMBL5998979 0.81 SYK (0.59) SYKCDK2CDK9CDK1CCNT1
SCHEMBL5998978 0.81 SYK (0.59) SYKCDK2CDK9CDK1CCNT1
SCHEMBL2612051 0.70 KDM4E (0.44) KDM4ENPC1RAB9ASMN1; SMN2ABL1
SCHEMBL2122949 0.70 CFTR (0.45) KDM4ENPC1RAB9ASMN1; SMN2ABL1
SCHEMBL4903303 0.69 ABL1 (0.66) SYKKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL5732836 0.69 SYK (0.61) SYKKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL1927060 0.69 ABL1 (0.80) SYKKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL8897098 0.68 NAMPT (0.56) NPC1RAB9ASMN1; SMN2MAPK1MAPT
SCHEMBL12183853 0.68 BRD4 (0.46) KDM4ENPC1RAB9ASMN1; SMN2ABL1

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-7151096-B2 Cyclic compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2006-12-19 — — US disclosed
US-20040235841-A1 Cyclic compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2004-11-25 — — US disclosed
WO-2004078682-A2 CYCLIC COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2004-09-16 — — WO 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-20040235841-A1 Cyclic compounds and compositions as protein kinase inhibitors CDK2, CDK5, CDK1 SYK 2923/4885CDK2 1/4885CDK9 6/4885

“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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