SCHEMBL6287953

SCHEMBL6287953

O=C(Nc1cccnc1)Nc1ncc(C2CC2)s1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 10/20 0.69
CDK2 P24941 10/20 0.69
CDK5 Q00535 10/20 0.69
POLB P06746 1/20 0.52
TSHR P16473 1/20 0.51
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 2/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.49
TAAR1 Q96RJ0 1/20 0.48
CDK5R1 Q15078 1/20 0.47
PKM P14618 1/20 0.47
EPHX2 P34913 1/20 0.47
HTT P42858 1/20 0.47

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 0.87 CDK2 (0.90) CCNE1CDK2CDK5TSHRRAB9A
SCHEMBL6287998 0.85 CCNE1 (0.70) CCNE1CDK2CDK5RAB9AMEN1
SCHEMBL5780012 0.83 CCNE1 (0.69) CCNE1CDK2CDK5CDK5R1
SCHEMBL5782078 0.82 CDK2 (1.00) CCNE1CDK2CDK5RAB9ANPC1
SCHEMBL6282688 0.81 CCNE1 (0.67) CCNE1CDK2CDK5RAB9ANPC1
SCHEMBL6285536 0.81 CCNE1 (0.67) CCNE1CDK2CDK5RAB9ANPC1
SCHEMBL6285653 0.80 RAB9A (0.63) CCNE1CDK2CDK5TSHRRAB9A
SCHEMBL6279150 0.80 TSHR (0.55) CCNE1CDK2CDK5POLBTSHR
SCHEMBL6286065 0.80 CCNE1 (0.70) CCNE1CDK2CDK5RAB9ANPC1
SCHEMBL6288023 0.80 CCNE1 (0.66) CCNE1CDK2CDK5POLBTSHR

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.