SCHEMBL6285020

SCHEMBL6285020

O=C(Nc1cccnc1)Nc1ncc(-c2ccccc2)s1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.67
CNR1 P21554 1/20 0.67
GSTO1 P78417 1/20 0.55
TSHR P16473 1/20 0.54
CCNE1 P24864 2/20 0.54
CDK2 P24941 2/20 0.54
CDK5 Q00535 2/20 0.54
SCD O00767 1/20 0.54
NAMPT P43490 3/20 0.54
ALDH1A1 P00352 2/20 0.53
HTT P42858 1/20 0.53
HDAC3 O15379 1/20 0.53
ABL1 P00519 1/20 0.53
PDGFRB P09619 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53

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
SCHEMBL6281775 0.89 CNR1 (0.82) KDRCNR1GSTO1CCNE1CDK2
SCHEMBL6282391 0.87 CNR1 (0.74) KDRCNR1GSTO1CCNE1CDK2
SCHEMBL6279016 0.82 CNR1 (0.67) KDRCNR1GSTO1CCNE1CDK2
SCHEMBL6285499 0.82 CNR1 (0.79) KDRCNR1GSTO1CCNE1CDK2
SCHEMBL6284017 0.81 CNR1 (0.77) KDRCNR1GSTO1CCNE1CDK2
SCHEMBL6288099 0.81 CNR1 (0.66) KDRCNR1GSTO1CCNE1CDK2
SCHEMBL19974300 0.81 KDR (0.60) KDRCNR1GSTO1CCNE1CDK2
SCHEMBL6330184 0.81 KDR (1.00) KDRHDAC3ABL1PDGFRBHDAC4
SCHEMBL6279138 0.81 CNR1 (0.77) KDRCNR1GSTO1CCNE1CDK2
SCHEMBL6278428 0.81 CNR1 (1.00) KDRCNR1GSTO1CCNE1CDK2

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 KDR 622/4885CNR1 1317/4885GSTO1 3939/4885
US-20040157827-A1 2-Ureido-thiazole derivatives, process for their preparation, and their use as antitumor agents UCK2, ULK3, CDK2 KDR 622/4885CNR1 1317/4885GSTO1 3939/4885

“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.