SCHEMBL6287954

SCHEMBL6287954

O=C(Nc1ccccn1)Nc1ncc(C2CC2)s1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 12/20 0.63
CDK2 P24941 12/20 0.63
CDK5 Q00535 12/20 0.63
NPC1 O15118 3/20 0.51
RAB9A P51151 2/20 0.51
ADORA3 P0DMS8 1/20 0.51
PIM1 P11309 1/20 0.51
ADORA2A P29274 1/20 0.51
ADORA2B P29275 1/20 0.51
ADORA1 P30542 1/20 0.51
FLT3 P36888 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PIM3 Q86V86 1/20 0.51
AURKB Q96GD4 1/20 0.51
CDK5R1 Q15078 1/20 0.51
TSHR P16473 1/20 0.49
LMNA P02545 1/20 0.49

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
SCHEMBL6281751 0.82 CDK2 (0.90) CCNE1CDK2CDK5NPC1RAB9A
SCHEMBL6287206 0.80 KDR (0.64) CCNE1CDK2CDK5NPC1RAB9A
SCHEMBL6288008 0.79 CCNE1 (0.63) CCNE1CDK2CDK5NPC1RAB9A
SCHEMBL6287998 0.78 CCNE1 (0.70) CCNE1CDK2CDK5RAB9ASMN1; SMN2
SCHEMBL6282656 0.78 CCNE1 (0.62) CCNE1CDK2CDK5NPC1RAB9A
SCHEMBL6287953 0.78 CCNE1 (0.69) CCNE1CDK2CDK5NPC1RAB9A
SCHEMBL6279008 0.77 KDR (0.66) CCNE1CDK2CDK5NPC1RAB9A
SCHEMBL5782078 0.77 CDK2 (1.00) CCNE1CDK2CDK5NPC1RAB9A
SCHEMBL6287030 0.76 CDK2 (0.70) CCNE1CDK2CDK5NPC1RAB9A
SCHEMBL9750118 0.76 NPC1 (0.81) NPC1RAB9AADORA3PIM1ADORA2A

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 CCNE1 83/4885CDK2 3/4885CDK5 129/4885
US-20040157827-A1 2-Ureido-thiazole derivatives, process for their preparation, and their use as antitumor agents UCK2, ULK3, CDK2 CCNE1 83/4885CDK2 3/4885CDK5 129/4885

“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.