SCHEMBL4909472

SCHEMBL4909472

NS(=O)(=O)c1ccc(Nc2nc3c([N+](=O)[O-])cccc3s2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 9/20 0.57
CDK2 P24941 9/20 0.57
CCNK O75909 1/20 0.57
CDK1 P06493 1/20 0.57
CDK4 P11802 1/20 0.57
CCNB1 P14635 1/20 0.57
CCND1 P24385 1/20 0.57
CCNE1 P24864 1/20 0.57
GSK3B P49841 1/20 0.57
CDK9 P50750 1/20 0.57
CCNA1 P78396 1/20 0.57
CDK3 Q00526 1/20 0.57
CDK6 Q00534 1/20 0.57
CDK5 Q00535 1/20 0.57
CDK5R1 Q15078 1/20 0.57
MAPT P10636 3/20 0.53
ALDH1A1 P00352 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51

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
SCHEMBL4916635 0.85 ALDH1A1 (0.58) CCNA2CDK2GSK3BMAPTALDH1A1
SCHEMBL4917181 0.84 MAPT (0.57) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL4909230 0.83 CCNA2 (0.54) CCNA2CDK2MEN1KMT2ACA1
SCHEMBL4908804 0.81 RAB9A (0.60) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL27529140 0.78 CCNA2 (0.68) CCNA2CDK2MAPTALDH1A1CYP3A4
SCHEMBL11210857 0.78 MEN1 (0.56) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL18487252 0.76 NPC1 (0.53) MAPTALOX15MEN1KMT2AKDM4E
SCHEMBL9789038 0.73 CA1 (0.52) CCNA2CDK2CCNKCDK1CDK4
SCHEMBL4920165 0.72 ALDH1A1 (0.50) MAPTALDH1A1CYP3A4CYP2D6ALOX15
SCHEMBL2115313 0.71 SLC9A1 (0.44) ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19

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-20080293785-A1 SUBSTITUTED BENZOTHIAZOLE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2008-11-27 US disclosed
WO-2007121154-A2 SUBSTITUTED BENZOTHIAZOLE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-10-25 WO 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-20080293785-A1 SUBSTITUTED BENZOTHIAZOLE KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K2 CCNA2 1496/4885CDK2 89/4885CCNK 402/4885

“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.