SCHEMBL2136354

SCHEMBL2136354

Cc1ccc(NN)cc1C#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
BACE2 Q9Y5Z0 1/20 0.38
SLC22A12 Q96S37 2/20 0.37
HTT P42858 3/20 0.37
ALDH1A1 P00352 5/20 0.36
IDO1 P14902 1/20 0.36
CSNK1D P48730 1/20 0.35
CSNK1G2 P78368 1/20 0.35
MAPT P10636 4/20 0.34
KDM4E B2RXH2 4/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
GAA P10253 2/20 0.34
EGFR P00533 2/20 0.34
ABCG2 Q9UNQ0 2/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
VNN1 O95497 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
Hydrochloric Acid SCHEMBL2905515 0.98 TSHR (0.42) TSHRBACE2SLC22A12HTTALDH1A1
SCHEMBL426896 0.84 ABCG2 (0.44) TSHRSLC22A12HTTALDH1A1IDO1
Hydrochloric Acid SCHEMBL425553 0.82 ABCG2 (0.43) TSHRSLC22A12HTTALDH1A1IDO1
SCHEMBL21966924 0.82 TSHR (0.45) TSHRBACE2SLC22A12HTTALDH1A1
SCHEMBL26546116 0.78 ABCG2 (0.48) TSHRBACE2SLC22A12HTTALDH1A1
SCHEMBL27483267 0.77 HTT (0.46) TSHRBACE2SLC22A12HTTALDH1A1
SCHEMBL10986676 0.77 TSHR (0.41) TSHRBACE2SLC22A12HTTALDH1A1
SCHEMBL26328301 0.77 TSHR (0.41) TSHRBACE2SLC22A12HTTALDH1A1
SCHEMBL897882 0.76 GRM4 (0.47) IDO1GAAABCG2
SCHEMBL3833327 0.76 SLC22A12 (0.50) SLC22A12IDO1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3313837-B1 CARBOLINE ANTIPARASITICS ZOETIS SERVICES LLC (US) 2020-09-09 EP disclosed
US-10570129-B2 Carboline antiparasitics ZOETIS SERVICES LLC (US) 2020-02-25 US disclosed
US-20200031822-A1 CARBOLINE ANTIPARASITICS ZOETIS SERVICES LLC (US) 2020-01-30 US disclosed
EP-3313837-A1 CARBOLINE ANTIPARASITICS Zoetis Services LLC (US) 2018-05-02 EP disclosed
WO-2016209635-A1 CARBOLINE ANTIPARASITICS ZOETIS SERVICES LLC (US) 2016-12-29 WO disclosed
US-8242278-B2 Process for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-14 US disclosed
US-20120101278-A1 PROCESS FOR PRODUCING BIARYL COMPOUND HAGIYA KOJI (JP) 2012-04-26 US disclosed
CN-101878031-A The inhibitors of kinases that is used for the treatment of myeloproliferative disease and other proliferative diseases DECIPHERA PHARMACEUTICALS LLC 2010-11-03 CN disclosed
EP-1473286-B1 PROCESS FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL CO (JP) 2009-11-04 EP disclosed
EP-0946508-B1 NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2009-09-23 EP disclosed
US-20090216017-A1 PROCESS FOR PRODUCING BIARYL COMPOUND HAGIYA KOJI 2009-08-27 US disclosed
US-7554000-B2 Process for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-30 US disclosed
US-20050096471-A1 Process for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-05-05 US disclosed
EP-1473286-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2004-11-03 EP disclosed
US-6548512-B1 Pyrazole derivatives such as 1-(3-amidinophenyl)-3-methyl-2-((5-(2'-aminosulfonylphenyl-1-yl)pyrimidin-2 -yl)aminocarbonyl)pyrazole; treating thromboembolic disorders BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-04-15 US disclosed
US-6020357-A CARDIOVASCULAR DISORDERS; ANTCOAGULANTS DUPONT PHARMACEUTICALS COMPANY (US) 2000-02-01 US disclosed
EP-0946508-A1 NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS Du Pont Pharmaceuticals Company (US) 1999-10-06 EP disclosed
WO-1998028269-A1 NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1998-07-02 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 (5 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-20120101278-A1 PROCESS FOR PRODUCING BIARYL COMPOUND PPOX, CAT, TYR TSHR 915/4885BACE2 221/4885SLC22A12 3824/4885
US-20090216017-A1 PROCESS FOR PRODUCING BIARYL COMPOUND PPOX, CAT, TYR TSHR 915/4885BACE2 221/4885SLC22A12 3824/4885
US-10570129-B2 Carboline antiparasitics ADRA1D, DRD1, CHRM1 TSHR 1186/4885BACE2 1661/4885SLC22A12 2896/4885
US-20050096471-A1 Process for producing biaryl compound PPOX, CAT, TYR TSHR 915/4885BACE2 221/4885SLC22A12 3824/4885
US-20200031822-A1 CARBOLINE ANTIPARASITICS DRD1, ADRA1D, DRD2 TSHR 1180/4885BACE2 1541/4885SLC22A12 3168/4885

“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.