SCHEMBL6286689

SCHEMBL6286689

O=C(Nc1ccccc1)Nc1ncc(Cl)s1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 3/20 0.63
CCNE1 P24864 2/20 0.63
CDK5 Q00535 2/20 0.63
CNR1 P21554 1/20 0.63
RAB9A P51151 7/20 0.62
MAPT P10636 6/20 0.62
MEN1 O00255 6/20 0.62
KMT2A Q03164 6/20 0.62
NPC1 O15118 5/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
LMNA P02545 2/20 0.62
HTT P42858 2/20 0.62
ALDH1A1 P00352 1/20 0.62
NFKB1 P19838 2/20 0.57
NFKB2 Q00653 2/20 0.57
RELA Q04206 2/20 0.57
AURKA O14965 1/20 0.55
PIM1 P11309 1/20 0.55
GSK3B P49841 1/20 0.55
TP53 P04637 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
SCHEMBL6285776 0.81 RAB9A (0.74) CDK2CCNE1CDK5CNR1RAB9A
SCHEMBL4715713 0.81 CDK2 (0.63) CDK2CCNE1CDK5CNR1RAB9A
SCHEMBL6281775 0.80 CNR1 (0.82) CDK2CCNE1CDK5CNR1RAB9A
SCHEMBL4292546 0.80 KDR (0.59) CDK2CCNE1CDK5CNR1RAB9A
SCHEMBL10287454 0.79 CDK2 (0.60) CDK2CCNE1CDK5CNR1RAB9A
SCHEMBL16086080 0.78 ALOX15 (0.54) RAB9AMAPTMEN1KMT2ANPC1
SCHEMBL6284074 0.78 CDK2 (1.00) CDK2CCNE1CDK5CNR1RAB9A
SCHEMBL6281751 0.78 CDK2 (0.90) CDK2CCNE1CDK5CNR1RAB9A
SCHEMBL6278428 0.77 CNR1 (1.00) CDK2CCNE1CDK5CNR1RAB9A
SCHEMBL28089066 0.77 FFAR2 (0.50) CDK2CCNE1CDK5CNR1RAB9A

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-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
EP-1124811-A1 2-UREIDO-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.p.A. (IT) 2001-08-22 EP disclosed
WO-2000026203-A1 2-UREIDO-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2000-05-11 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 (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 CDK2 3/4885CCNE1 83/4885CDK5 129/4885
US-20040157827-A1 2-Ureido-thiazole derivatives, process for their preparation, and their use as antitumor agents UCK2, ULK3, CDK2 CDK2 3/4885CCNE1 83/4885CDK5 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.