SCHEMBL1355974

SCHEMBL1355974

CS(=O)(=O)Nc1ccc(Nc2ncc3cnn(-c4cccc5ccc6ccccc6c45)c3n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCLK1 O15075 1/20 0.46
CDK1 P06493 4/20 0.42
CCNB1 P14635 4/20 0.42
AURKA O14965 2/20 0.42
KDM1A O60341 1/20 0.40
FLT3 P36888 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
GLO1 Q04760 2/20 0.39
PTK2 Q05397 3/20 0.38
CDK4 P11802 3/20 0.38
CCND1 P24385 3/20 0.38
CCND2 P30279 3/20 0.38
CCND3 P30281 3/20 0.38
KEAP1 Q14145 1/20 0.38
CCNT1 O60563 1/20 0.37
CDK7 P50613 1/20 0.37

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 0.88 CDK1 (0.44) CDK1CCNB1AURKACYP2C9CDK4
SCHEMBL3586411 0.85 SRC (0.40) CDK1CCNB1AURKAKDM1AFLT3
SCHEMBL3579319 0.83 GSK3B (0.50) AURKAJAK2
SCHEMBL3587383 0.82 DCLK1 (0.39) DCLK1CDK1CCNB1AURKAFLT3
SCHEMBL1353795 0.81 DCLK1 (0.52) DCLK1CDK1CCNB1AURKAKDM1A
SCHEMBL3586476 0.80 FLT3 (0.48) DCLK1CDK1CCNB1AURKAFLT3
SCHEMBL3573049 0.80 CDK1 (0.46) DCLK1CDK1CCNB1AURKACYP2C9
SCHEMBL1356073 0.79 STAT6 (0.50) CDK1CCNB1AURKACDK4CCND1
SCHEMBL3585804 0.79 CDK1 (0.46) CDK1CCNB1AURKACYP2C9PTK2
SCHEMBL3587747 0.79 CDK4 (0.51) CDK1CCNB1KDM1AFLT3CDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110281821-A9 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2011-11-17 US claimed
US-20100249067-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2010-09-30 US claimed
US-20100190787-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC 2010-07-29 US claimed
US-20110281821-A9 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2011-11-17 US disclosed
US-20100249067-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2010-09-30 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 (3 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-20100249067-A1 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 DCLK1 452/4885CDK1 3/4885CCNB1 12/4885
US-20100190787-A1 Modulators of Mitotic Kinases CDK1, BUB1, BUB1B DCLK1 611/4885CDK1 1/4885CCNB1 17/4885
US-20110281821-A9 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 DCLK1 452/4885CDK1 3/4885CCNB1 12/4885

“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.