SCHEMBL3573049

SCHEMBL3573049

CS(=O)(=O)N(c1ccc(Nc2ncc3cnn(-c4cccc5ccccc45)c3n2)cc1)S(C)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 13/20 0.46
CCNB1 P14635 13/20 0.46
AURKA O14965 12/20 0.46
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
FGFR4 P22455 1/20 0.38
WEE1 P30291 1/20 0.38
CCNT1 O60563 1/20 0.37
CDK7 P50613 1/20 0.37
CDK9 P50750 1/20 0.37
CCNH P51946 1/20 0.37
CDK4 P11802 2/20 0.36
CCND1 P24385 2/20 0.36
CCND2 P30279 2/20 0.36
CCND3 P30281 2/20 0.36
DCLK1 O15075 1/20 0.36
EIF2AK4 Q9P2K8 1/20 0.36
RIPK2 O43353 1/20 0.36
ACVR1 Q04771 1/20 0.36

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
SCHEMBL3581811 0.93 CDK1 (0.44) CDK1CCNB1AURKACYP3A4CYP2C9
SCHEMBL3585804 0.91 CDK1 (0.46) CDK1CCNB1AURKACYP3A4CYP2C9
SCHEMBL1356005 0.86 CDK1 (0.43) CDK1CCNB1AURKACYP3A4CYP2C9
SCHEMBL1355558 0.85 CDK1 (0.48) CDK1CCNB1AURKACYP3A4CYP2C9
SCHEMBL3591261 0.83 GSK3A (0.39) CDK1CCNB1AURKAFGFR4WEE1
SCHEMBL3587383 0.83 DCLK1 (0.39) CDK1CCNB1AURKAFGFR4CCNT1
SCHEMBL3583178 0.81 SRC (0.42) CDK1CCNB1FGFR4WEE1CCNT1
SCHEMBL3588854 0.81 PDGFRB (0.47) CDK4CCND1CCND2CCND3EIF2AK4
SCHEMBL3588646 0.80 CDK4 (0.39) CDK1CCNB1AURKAFGFR4CDK4
SCHEMBL3589735 0.80 GSK3B (0.53) AURKA

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 2 patents. 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
US-20100190787-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC 2010-07-29 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-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.