SCHEMBL5657820

SCHEMBL5657820

COC(=O)c1cnc(C(F)(F)F)nc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.50
NOTUM Q6P988 2/20 0.49
KDM4E B2RXH2 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 3/20 0.42
ATM Q13315 1/20 0.42
HTT P42858 1/20 0.41
TSHR P16473 1/20 0.41
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL26152002 0.87 MAPK1 (0.49) MAPK1NOTUMKDM4EL3MBTL1LMNA
SCHEMBL4595467 0.82 MAPK1 (0.52) MAPK1NOTUMKDM4EL3MBTL1LMNA
SCHEMBL26151999 0.81 MAPK1 (0.50) MAPK1KDM4EL3MBTL1LMNAALDH1A1
SCHEMBL346837 0.80 FOS (0.49) KDM4ELMNAALDH1A1CA12CA1
SCHEMBL26154953 0.79 MAPK1 (0.49) MAPK1NOTUMKDM4EL3MBTL1LMNA
SCHEMBL17553576 0.78 ALDH1A1 (0.41) KDM4EL3MBTL1ALDH1A1MAPT
SCHEMBL27282195 0.78 MAPK1 (0.55) MAPK1KDM4EL3MBTL1LMNAALDH1A1
SCHEMBL18547783 0.78 MAPK1 (0.55) MAPK1NOTUMKDM4EL3MBTL1LMNA
Methyl Nicotinate SCHEMBL21295593 0.78 ALDH1A1 (0.62) MAPK1L3MBTL1LMNAALDH1A1ATM
SCHEMBL20902048 0.78 LMNA (0.49) MAPK1KDM4EL3MBTL1LMNAALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7285563-B2 Heteroaromatic urea derivatives as VR-1 receptor modulators for treating pain MERCK SHARP & DOHME LTD. (GB) 2007-10-23 US disclosed
US-20050107388-A1 Heteroaromatic urea derivatives as vr-1receptor modulators for treating pain MERCK SHARP & DOHME LTD. (GB) 2005-05-19 US disclosed
EP-1490340-A1 HETEROAROMATIC UREA DERIVATIVES AS VR-1 RECEPTOR MODULATORS FOR TREATING PAIN MERCK SHARP & DOHME LTD. (GB) 2004-12-29 EP disclosed
WO-2003080578-A1 HETEROAROMATIC UREA DERIVATIVES AS VR-1 RECEPTOR MODULATORS FOR TREATING PAIN MERCK SHARP & DOHME LIMITED (GB) 2003-10-02 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 (1 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-20050107388-A1 Heteroaromatic urea derivatives as vr-1receptor modulators for treating pain ARRB1, OPRL1, CNR1 MAPK1 1633/4885NOTUM 4755/4885KDM4E 3121/4885

“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.