SCHEMBL3521890

SCHEMBL3521890

NS(=O)(=O)c1cccc(Nc2nccc(-c3ccc(O)c(F)c3)n2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 11/20 0.62
▸ CDK2 P24941 9/20 0.62
▸ MTOR P42345 8/20 0.62
▸ PIK3CA P42336 1/20 0.62
▸ PIK3CG P48736 1/20 0.62
▸ SMG1 Q96Q15 7/20 0.62
▸ IKBKB O14920 3/20 0.60
▸ DKK1 O94907 1/20 0.56
▸ GSK3B P49841 1/20 0.56
▸ SYK P43405 2/20 0.55
▸ CCNT1 O60563 4/20 0.55
▸ CCNB1 P14635 4/20 0.55
▸ CDK9 P50750 4/20 0.55
▸ CCNA2 P20248 3/20 0.55
▸ CDK7 P50613 3/20 0.55
▸ CCNH P51946 3/20 0.55
▸ CCNA1 P78396 3/20 0.55
▸ SLC2A1 P11166 1/20 0.54
▸ LYN P07948 1/20 0.52
▸ TXK P42681 1/20 0.52

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
SCHEMBL3520083 0.86 IKBKB (0.61) CDK1CDK2MTORPIK3CAPIK3CG
SCHEMBL14253976 0.85 CDK1 (0.62) CDK1CDK2MTORPIK3CAPIK3CG
SCHEMBL14263783 0.85 CDK1 (0.60) CDK1CDK2MTORPIK3CAPIK3CG
SCHEMBL14253983 0.85 CDK1 (0.62) CDK1CDK2MTORPIK3CAPIK3CG
SCHEMBL6752979 0.82 CAMK2D (0.67) CDK1CDK2MTORPIK3CAPIK3CG
SCHEMBL7524252 0.82 CDK1 (0.69) CDK1CDK2MTORPIK3CAPIK3CG
SCHEMBL6752978 0.82 CDK1 (0.66) CDK1CDK2MTORPIK3CAPIK3CG
SCHEMBL3518683 0.81 IKBKB (0.66) CDK1CDK2MTORPIK3CAPIK3CG
SCHEMBL7471938 0.81 ABL1 (0.70) CDK1CDK2MTORPIK3CAPIK3CG
SCHEMBL30847388 0.79 CDK1 (0.60) CDK1CDK2MTORPIK3CAPIK3CG

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 CDK1 43/4885CDK2 11/4885MTOR 2111/4885

“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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