SCHEMBL6281775

SCHEMBL6281775

O=C(Nc1ccccc1)Nc1ncc(-c2ccccc2)s1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.82
KDR P35968 4/20 0.68
CDK2 P24941 4/20 0.66
CCNE1 P24864 3/20 0.66
CDK5 Q00535 3/20 0.66
GSTO1 P78417 1/20 0.63
SCD O00767 1/20 0.62
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
MAPT P10636 2/20 0.60
MEN1 O00255 1/20 0.60
ALDH1A1 P00352 1/20 0.60
LMNA P02545 1/20 0.60
HTT P42858 1/20 0.60
KMT2A Q03164 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
ACP1 P24666 1/20 0.59
NAMPT P43490 3/20 0.57
MKNK1 Q9BUB5 1/20 0.54
AURKA O14965 1/20 0.54

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
SCHEMBL6285499 0.92 CNR1 (0.79) CNR1KDRCDK2CCNE1CDK5
SCHEMBL6282391 0.92 CNR1 (0.74) CNR1KDRCDK2CCNE1CDK5
SCHEMBL6278428 0.90 CNR1 (1.00) CNR1KDRCDK2CCNE1CDK5
SCHEMBL6279138 0.90 CNR1 (0.77) CNR1KDRCDK2CCNE1CDK5
SCHEMBL6279016 0.89 CNR1 (0.67) CNR1KDRCDK2CCNE1CDK5
SCHEMBL6285020 0.89 KDR (0.67) CNR1KDRCDK2CCNE1CDK5
SCHEMBL6284017 0.88 CNR1 (0.77) CNR1KDRCDK2CCNE1CDK5
SCHEMBL6288099 0.88 CNR1 (0.66) CNR1KDRCDK2CCNE1CDK5
SCHEMBL6284850 0.87 CNR1 (0.72) CNR1KDRCDK2CCNE1CDK5
SCHEMBL6282681 0.86 CNR1 (0.70) CNR1KDRCDK2CCNE1CDK5

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-20040157827-A1 2-Ureido-thiazole derivatives, process for their preparation, and their use as antitumor agents PEVARELLO PAOLO (IT) 2004-08-12 US claimed
US-20030187040-A1 2-Ureido-thiazole derivatives, process for their preparation, and their use as antitumor agents PHARMACIA & UPJOHN SPA (IT) 2003-10-02 US claimed
US-6863647-B2 2-Ureido-thiazole derivatives, process for their preparation, and their use as antitumor agents PHARMACIA & UPJOHN S.P.A. (IT) 2005-03-08 US disclosed
US-20040157827-A1 2-Ureido-thiazole derivatives, process for their preparation, and their use as antitumor agents PEVARELLO PAOLO (IT) 2004-08-12 US disclosed
US-20030187040-A1 2-Ureido-thiazole derivatives, process for their preparation, and their use as antitumor agents PHARMACIA & UPJOHN SPA (IT) 2003-10-02 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 (2 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-20030187040-A1 2-Ureido-thiazole derivatives, process for their preparation, and their use as antitumor agents UCK2, ULK3, CDK2 CNR1 1317/4885KDR 622/4885CDK2 3/4885
US-20040157827-A1 2-Ureido-thiazole derivatives, process for their preparation, and their use as antitumor agents UCK2, ULK3, CDK2 CNR1 1317/4885KDR 622/4885CDK2 3/4885

“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.