SCHEMBL2975736

SCHEMBL2975736

Cc1ccc(C(=O)c2[nH]c3cc(C(F)(F)F)ccc3c2C)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.44
MAP2K4 P45985 1/20 0.44
MAPK6 Q16659 1/20 0.44
MAPKAPK5 Q8IW41 1/20 0.44
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP1A1 P04798 1/20 0.43
CYP1B1 Q16678 1/20 0.43
SRD5A2 P31213 1/20 0.42

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
SCHEMBL31025910 0.83 MAPT (0.55) KIF11MAPTMAPK1MAP2K4MAPK6
SCHEMBL2971306 0.83 PTGS1 (0.53) KIF11MAPTMAPK1MAP2K4MAPK6
SCHEMBL2980199 0.75 MAP2K4 (0.55) KIF11MAPTMAPK1MAP2K4MAPK6
SCHEMBL8125931 0.73 KIF11 (0.44) KIF11MAPTCA12CA9
SCHEMBL28780 0.73 MAPT (0.54) KIF11MAPTMAPK1MAP2K4MAPK6
SCHEMBL9776264 0.73 SRD5A2 (0.68) CYP1A1CYP1B1SRD5A2
SCHEMBL13772408 0.72 KIF11 (0.84) KIF11MAPT
SCHEMBL7502801 0.72 KIF11 (0.56) KIF11MAPTMEN1KMT2A
SCHEMBL4616764 0.72 KMT2A (0.64) KIF11MAPTMAPK1MAP2K4MAPK6
SCHEMBL7202805 0.71 ALOX15 (0.42) KIF11MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286144-A1 HETEROARYL DERIVATIVES TAKAHASHI YOKO 2010-11-11 US disclosed
US-20100286144-A1 HETEROARYL DERIVATIVES TAKAHASHI YOKO 2010-11-11 US disclosed
US-20100286144-A1 HETEROARYL DERIVATIVES TAKAHASHI YOKO 2010-11-11 US disclosed
US-7781479-B2 Heteroaryl derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-08-24 US disclosed
US-7781479-B2 Heteroaryl derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-08-24 US disclosed
US-7781479-B2 Heteroaryl derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-08-24 US disclosed
US-20080167306-A1 Novel Heteroaryl Derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-07-10 US disclosed
US-20080167306-A1 Novel Heteroaryl Derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-07-10 US disclosed
US-20080167306-A1 Novel Heteroaryl Derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-07-10 US disclosed
EP-1837329-A1 NOVEL HETEROARYL DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2007-09-26 EP 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-20100286144-A1 HETEROARYL DERIVATIVES GPR119, SLC2A1, SLC2A4 KIF11 4704/4885MAPT 4724/4885MAPK1 814/4885
US-20080167306-A1 Novel Heteroaryl Derivative GPR119, SLC2A4, SLC5A2 KIF11 4612/4885MAPT 4727/4885MAPK1 900/4885

“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.