SCHEMBL751975

SCHEMBL751975

CCNC(=O)Nc1cc[c]cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 1/20 0.47
GHSR Q92847 1/20 0.45
EPHX1 P07099 3/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
DHODH Q02127 1/20 0.43
NPC1 O15118 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
CNR1 P21554 1/20 0.41
PIK3CA P42336 1/20 0.41
MTOR P42345 1/20 0.41
PIK3CG P48736 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL23560422 0.86 MTNR1B (0.57) MTNR1BGHSREPHX1ALDH1A1HTT
SCHEMBL3760341 0.83 POLB (0.57) ALDH1A1HTTNPC1MEN1KMT2A
SCHEMBL2816879 0.82 EPHX1 (0.62) GHSREPHX1ALDH1A1HTTNPC1
SCHEMBL340246 0.80 EPHX1 (0.64) EPHX1ALDH1A1HTTNPC1MEN1
SCHEMBL27454003 0.80 EPHX1 (0.72) GHSREPHX1ALDH1A1HTTMAPT
SCHEMBL11244240 0.80 EPHX1 (0.72) GHSREPHX1ALDH1A1HTTMAPT
SCHEMBL1416157 0.79 KDM4E (0.49) EPHX1ALDH1A1HTTNPC1MEN1
SCHEMBL1419116 0.79 EPHX1 (0.43) MTNR1BEPHX1ALDH1A1HTTDHODH
SCHEMBL1415910 0.79 ALDH1A1 (0.44) EPHX1ALDH1A1HTTMEN1KMT2A
SCHEMBL1977470 0.78 MAOA (0.57) MTNR1BEPHX1ALDH1A1DHODHNPC1

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 82 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430013-B1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC (US) 2014-10-15 EP claimed
US-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors AMGEN INC. (US) 2012-07-26 US claimed
EP-2430013-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS Amgen, Inc (US) 2012-03-21 EP claimed
WO-2010132598-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC. (US) 2010-11-18 WO claimed
CN-101356173-A Novel pyridopyrazines and their use as modulators of kinases AETERNA ZENTARIS GMBH (DE) 2009-01-28 CN claimed
US-20070149484-A1 NOVEL PYRIDOPYRAZINES AND THEIR USE AS MODULATORS OF KINASES ZENTARIS GMBH (DE) 2007-06-28 US claimed
EP-1259499-A1 THIAZEPINYL HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-27 EP claimed
WO-2001060808-A1 THIAZEPINYL HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 WO claimed
EP-2029570-B1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2014-10-15 EP disclosed
EP-2430013-B1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC (US) 2014-10-15 EP disclosed
US-20130157976-A1 NOVEL PYRIDOPYRAZINES AND THEIR USE AS MODULATORS OF KINASES CLAUS ECKHARD (DE) 2013-06-20 US disclosed
US-8350995-B2 Optical film, production method of optical film, optically-compensatory film, polarizing plate and liquid crystal display device FUJIFILM CORPORATION (JP) 2013-01-08 US disclosed
US-8324204-B2 Fused thiophene derivatives as kinase inhibitors UCB PHARMA SA (BE) 2012-12-04 US disclosed
CN-101356173-B Novel pyridopyrazines and their use as modulators of kinases AETERNA ZENTARIS GMBH 2012-10-31 CN disclosed
WO-2001060808-A1 THIAZEPINYL HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 WO disclosed
EP-1064283-A1 PYRAZOLO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2001-01-03 EP disclosed
WO-1999048892-A1 PYRAZOLO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1999-09-30 WO disclosed
US-5258275-A Matting agents in silver halide emulsions, coating and drying KONICA CORPORATION (JP) 1993-11-02 US disclosed
EP-0422961-A1 Silver halide photographic light-sensitive material and the process of preparing the same KONICA CORPORATION (JP) 1991-04-17 EP disclosed
EP-0337370-A2 Silver halide photographic emulsion and silver halide photographic materials FUJI PHOTO FILM CO., LTD. (JP) 1989-10-18 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 (3 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-20070149484-A1 NOVEL PYRIDOPYRAZINES AND THEIR USE AS MODULATORS OF KINASES MAP4K2, MAP3K15, MAP3K5 MTNR1B 1706/4885GHSR 3895/4885EPHX1 2308/4885
US-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors PIK3CA, PIKFYVE, PIK3CD MTNR1B 4557/4885GHSR 3559/4885EPHX1 4243/4885
US-20130157976-A1 NOVEL PYRIDOPYRAZINES AND THEIR USE AS MODULATORS OF KINASES MAP4K2, MAP3K15, MAP3K5 MTNR1B 1706/4885GHSR 3895/4885EPHX1 2308/4885

“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.