SCHEMBL6286038

SCHEMBL6286038

COc1ccccc1NC(=O)Nc1ncc(C(C)C)s1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.65
NPC1 O15118 2/20 0.65
RAB9A P51151 2/20 0.65
CCNE1 P24864 6/20 0.65
CDK2 P24941 6/20 0.65
CDK5 Q00535 6/20 0.65
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
LPAR1 Q92633 1/20 0.55
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 2/20 0.53
CCNT1 O60563 1/20 0.53
CDK1 P06493 1/20 0.53
CDK4 P11802 1/20 0.53
CCNB1 P14635 1/20 0.53
CCNA2 P20248 1/20 0.53
CCND1 P24385 1/20 0.53
CDK7 P50613 1/20 0.53
CDK9 P50750 1/20 0.53
CCNH P51946 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
SCHEMBL5835744 0.88 CDK2 (0.61) SMN1; SMN2NPC1RAB9ACCNE1CDK2
SCHEMBL6282725 0.86 CDK2 (0.63) SMN1; SMN2NPC1RAB9ACCNE1CDK2
SCHEMBL6281755 0.86 CCNE1 (0.60) SMN1; SMN2NPC1RAB9ACCNE1CDK2
SCHEMBL6285364 0.85 MAPT (0.56) SMN1; SMN2NPC1RAB9ACCNE1CDK2
SCHEMBL5835976 0.84 CCNE1 (0.64) SMN1; SMN2NPC1RAB9ACCNE1CDK2
SCHEMBL6287790 0.84 KMT2A (0.56) NPC1RAB9ACCNE1CDK2CDK5
SCHEMBL6281756 0.84 CDK2 (0.70) SMN1; SMN2NPC1RAB9ACCNE1CDK2
SCHEMBL6288100 0.83 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9ACCNE1CDK2
SCHEMBL6281642 0.82 CDK2 (0.68) SMN1; SMN2NPC1RAB9ACCNE1CDK2
SCHEMBL6287958 0.82 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AMEN1KMT2A

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 SMN1; SMN2 2448/4885NPC1 2685/4885RAB9A 2674/4885
US-20040157827-A1 2-Ureido-thiazole derivatives, process for their preparation, and their use as antitumor agents UCK2, ULK3, CDK2 SMN1; SMN2 2448/4885NPC1 2685/4885RAB9A 2674/4885

“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.