SCHEMBL5998978

SCHEMBL5998978

CCOC(=O)c1cccc(Nc2nccc(-c3sc(N)nc3C(F)(F)F)n2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 4/20 0.59
▸ CDK2 P24941 6/20 0.51
▸ CDK1 P06493 4/20 0.51
▸ CCNT1 O60563 3/20 0.51
▸ CCNB1 P14635 3/20 0.51
▸ CCNA2 P20248 3/20 0.51
▸ CDK7 P50613 3/20 0.51
▸ CDK9 P50750 3/20 0.51
▸ CCNH P51946 3/20 0.51
▸ CCNA1 P78396 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ AURKA O14965 4/20 0.49
▸ CDK4 P11802 3/20 0.49
▸ ABL1 P00519 2/20 0.49
▸ GSK3B P49841 2/20 0.49
▸ CDK5 Q00535 2/20 0.49
▸ AURKB Q96GD4 2/20 0.49

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
SCHEMBL5998979 0.90 SYK (0.59) SYKCDK2CDK1CCNT1CCNB1
SCHEMBL5999180 0.81 SYK (0.49) SYKCDK2CDK1CCNT1CCNB1
SCHEMBL6852913 0.80 SYK (0.48) SYKCDK2CDK1CCNT1CCNB1
SCHEMBL4903303 0.77 ABL1 (0.66) SYKKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL1927060 0.76 ABL1 (0.80) SYKKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL5782012 0.75 ABL1 (0.63) CDK2CDK1CCNT1CCNB1CCNA2
SCHEMBL14253952 0.74 SYK (0.59) SYKKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL5732836 0.74 SYK (0.61) SYKKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL19347450 0.74 SYK (1.00) SYK
SCHEMBL5998636 0.73 SMN1; SMN2 (0.57) SYKCDK2KDM4ENPC1RAB9A

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 1/4885CDK1 3/4885

“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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