SCHEMBL5677771

SCHEMBL5677771

CCc1n[nH]c2cc(F)ccc12

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 13/20 0.51
MAPK1 P28482 2/20 0.44
MAPK6 Q16659 2/20 0.44
ITK Q08881 3/20 0.43
MAP2K7 O14733 1/20 0.43
HTR2A P28223 2/20 0.43
MAPKAPK2 P49137 1/20 0.42
MAPKAPK3 Q16644 1/20 0.42
GSK3B P49841 1/20 0.41
GPR84 Q9NQS5 1/20 0.40

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
SCHEMBL10271562 0.86 ITK (0.43) MAP2K4MAPK1MAPK6ITKHTR2A
SCHEMBL2447620 0.83 KDR (0.42) MAP2K4MAPK1GSK3B
SCHEMBL19570332 0.82 MAP2K4 (0.51) MAP2K4MAPK1MAPK6ITKMAP2K7
SCHEMBL5953156 0.82 MAP2K4 (0.51) MAP2K4MAPK1MAPK6ITKMAP2K7
SCHEMBL8206970 0.81 MAP2K4 (0.47) MAP2K4MAPK1MAPK6ITKMAP2K7
SCHEMBL10189221 0.80 KIF11 (0.47) MAP2K4GSK3B
SCHEMBL130781 0.80 ITK (0.47) MAP2K4MAPK1MAPK6ITKMAP2K7
SCHEMBL7713988 0.79 MAP2K4 (0.49) MAP2K4MAPK1MAPK6ITKMAP2K7
SCHEMBL16095565 0.79 AXL (0.50) GSK3B
SCHEMBL5790250 0.79 PDE3B (0.36) GSK3B

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
US-9920012-B2 Indazole guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2018-03-20 US disclosed
US-9580391-B2 Saturated acyl guanidine for inhibition of F1F0-ATPase LYCERA CORPORATION (US) 2017-02-28 US disclosed
EP-2718283-A1 INDAZOLE- AND PYRROLOPYRIDINE-DERIVATIVE AND PHARMACEUTICAL USE THEREOF Dainippon Sumitomo Pharma Co., Ltd. (JP) 2014-04-16 EP disclosed
US-20140057895-A1 INDAZOLE- AND PYRROLOPYRIDINE-DERIVATIVE AND PHARMACEUTICAL USE THEREOF SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-02-27 US disclosed
US-20140057895-A1 INDAZOLE- AND PYRROLOPYRIDINE-DERIVATIVE AND PHARMACEUTICAL USE THEREOF SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-02-27 US disclosed
WO-2012169649-A1 INDAZOLE- AND PYRROLOPYRIDINE-DERIVATIVE AND PHARMACEUTICAL USE THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-12-13 WO disclosed
WO-2012169649-A1 INDAZOLE- AND PYRROLOPYRIDINE-DERIVATIVE AND PHARMACEUTICAL USE THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-12-13 WO disclosed
US-8309577-B2 Quinuclidine compounds as α-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-13 US disclosed
US-20120035178-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2012-02-09 US disclosed
US-7863291-B2 Quinuclidine compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2011-01-04 US disclosed
US-7812045-B2 Antifungal triazole derivatives DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2010-10-12 US disclosed
US-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2010-04-22 US disclosed
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY 2009-10-29 US disclosed
US-20080194661-A1 Antifungal Triazole Derivatives DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2008-08-14 US disclosed
EP-1129078-B1 INDAZOLE DERIVATIVES WITH 5-HT2 RECEPTOR ACTIVITY VERNALIS RES LTD (GB) 2006-03-15 EP disclosed
US-6552062-B1 For therapy of central nervous system disorders; damage to the central nervous system; cardiovascular disorders; gastrointestinal disorders; diabetes insipidus, and sleep apnea, and obesity VERNALIS RESEARCH LIMITED (GB) 2003-04-22 US disclosed
EP-1129078-A2 INDAZOLE DERIVATIVES WITH 5-HT2 RECEPTOR ACTIVITY VERNALIS RESEARCH LIMITED (GB) 2001-09-05 EP disclosed
WO-2000012481-A2 INDAZOLE DERIVATIVES WITH 5-HT2 RECEPTOR ACTIVITY________________ VERNALIS RESEARCH LIMITED (GB) 2000-03-09 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-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 MAP2K4 4595/4885MAPK1 1647/4885MAPK6 1522/4885
US-20120035178-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 MAP2K4 4595/4885MAPK1 1647/4885MAPK6 1522/4885
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 MAP2K4 4595/4885MAPK1 1647/4885MAPK6 1522/4885
US-20080194661-A1 Antifungal Triazole Derivatives ERG28, CYP51A1, CYP3A43 MAP2K4 3781/4885MAPK1 4156/4885MAPK6 3854/4885
US-20140057895-A1 INDAZOLE- AND PYRROLOPYRIDINE-DERIVATIVE AND PHARMACEUTICAL USE THEREOF HTR4, HTR3B, HTR3A MAP2K4 1984/4885MAPK1 3860/4885MAPK6 3992/4885

“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.