SCHEMBL3521035

SCHEMBL3521035

CNS(=O)(=O)c1ccc(Nc2nccc(-c3sccc3C)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 10/20 0.52
CCNT1 O60563 9/20 0.52
CDK2 P24941 7/20 0.52
CDK1 P06493 5/20 0.52
CDK7 P50613 5/20 0.52
CCNA2 P20248 5/20 0.52
CCNB1 P14635 4/20 0.52
CCNH P51946 4/20 0.52
CCNA1 P78396 4/20 0.52
IKBKB O14920 7/20 0.50
CDK4 P11802 2/20 0.50
DKK1 O94907 1/20 0.50
GSK3B P49841 1/20 0.50
AURKA O14965 1/20 0.50
AURKB Q96GD4 1/20 0.50
PLK1 P53350 1/20 0.49
PIP4K2A P48426 1/20 0.46

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
SCHEMBL3516299 0.87 IKBKB (0.66) CDK9CCNT1CDK2CDK1CDK7
SCHEMBL3520747 0.85 IKBKB (0.52) CDK9CCNT1CDK2CDK1CDK7
SCHEMBL4156267 0.84 SYK (0.65) CDK9CCNT1CDK2
SCHEMBL4144796 0.83 IKBKB (0.47) CDK9CCNT1CDK2CDK1CDK7
SCHEMBL4163781 0.81 CCNT1 (0.51) CDK9CCNT1CDK2CDK1CDK7
SCHEMBL3518694 0.81 CCNT1 (0.54) CDK9CCNT1CDK2CDK1CDK7
SCHEMBL7471779 0.79 CDK2 (0.67) CDK9CDK2CDK1CDK7CCNA2
SCHEMBL3520377 0.76 IKBKB (0.60) CDK9CCNT1CDK2CDK1CDK7
SCHEMBL4146725 0.75 ABL1 (0.66) IKBKBDKK1GSK3B
SCHEMBL4165980 0.74 CDK2 (0.72) CDK9CCNT1CDK2CDK1CDK7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7799915-B2 Anilino-pyrimidine analogs WYETH LLC (US) 2010-09-21 US claimed
US-20060079543-A1 Anilino-pyrimidine analogs WYETH (US) 2006-04-13 US claimed
US-7799915-B2 Anilino-pyrimidine analogs WYETH LLC (US) 2010-09-21 US disclosed
US-20060079543-A1 Anilino-pyrimidine analogs WYETH (US) 2006-04-13 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-20060079543-A1 Anilino-pyrimidine analogs DPYD, TYMP, ADORA3 CDK9 138/4885CCNT1 20/4885CDK2 11/4885

“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.