SCHEMBL3581811

SCHEMBL3581811

CS(=O)(=O)N(c1ccc(Nc2ncc3cnn(-c4cccc5ccc6ccccc6c45)c3n2)cc1)S(C)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 14/20 0.44
CCNB1 P14635 14/20 0.44
AURKA O14965 12/20 0.44
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
WEE1 P30291 2/20 0.37
CDK4 P11802 4/20 0.36
CCND1 P24385 4/20 0.36
CCND2 P30279 4/20 0.36
CCND3 P30281 4/20 0.36
FGFR4 P22455 2/20 0.36
CCNT1 O60563 1/20 0.35
CDK7 P50613 1/20 0.35
CDK9 P50750 1/20 0.35
CCNH P51946 1/20 0.35
CCNB2 O95067 1/20 0.35
CCNE2 O96020 1/20 0.35
FGFR1 P11362 1/20 0.35
SRC P12931 1/20 0.35

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
SCHEMBL3573049 0.93 CDK1 (0.46) CDK1CCNB1AURKACYP3A4CYP2C9
SCHEMBL1355974 0.88 DCLK1 (0.46) CDK1CCNB1AURKACYP2C9CDK4
SCHEMBL3585804 0.84 CDK1 (0.46) CDK1CCNB1AURKACYP3A4CYP2C9
SCHEMBL3586411 0.83 SRC (0.40) CDK1CCNB1AURKAWEE1CDK4
SCHEMBL1355558 0.82 CDK1 (0.48) CDK1CCNB1AURKACYP3A4CYP2C9
SCHEMBL3579319 0.81 GSK3B (0.50) AURKA
SCHEMBL1356005 0.81 CDK1 (0.43) CDK1CCNB1AURKACYP3A4CYP2C9
SCHEMBL1356073 0.77 STAT6 (0.50) CDK1CCNB1AURKACDK4CCND1
SCHEMBL1355910 0.77 FGFR4 (0.50) CDK1CCNB1AURKACYP3A4CYP2C9
SCHEMBL3591261 0.77 GSK3A (0.39) CDK1CCNB1AURKAWEE1CDK4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190787-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC 2010-07-29 US claimed

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-20100190787-A1 Modulators of Mitotic Kinases CDK1, BUB1, BUB1B CDK1 1/4885CCNB1 17/4885AURKA 10/4885

“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.