SCHEMBL182453

SCHEMBL182453

O=Cc1cc2cn[nH]c2cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.44
TRPA1 O75762 3/20 0.43
MAPK1 P28482 3/20 0.41
FGFR1 P11362 2/20 0.41
FGFR2 P21802 2/20 0.41
METAP2 P50579 3/20 0.39
NOS1 P29475 5/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
DYRK1A Q13627 2/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
CSNK2A1 P68400 1/20 0.38
ROCK2 O75116 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL29956581 1.00 CHEK1 (0.44) CHEK1TRPA1MAPK1FGFR1FGFR2
SCHEMBL15651326 0.93 CHEK1 (0.44) CHEK1TRPA1MAPK1FGFR1FGFR2
SCHEMBL29520920 0.84 CHEK1 (0.46) CHEK1TRPA1MAPK1FGFR1FGFR2
SCHEMBL25228885 0.80 GRIA1 (0.50) CHEK1TRPA1MAPK1FGFR1METAP2
SCHEMBL14738406 0.78 CHEK1 (0.56) CHEK1TRPA1MAPK1FGFR1FGFR2
SCHEMBL23845781 0.75 CHEK1 (0.44) CHEK1TRPA1MAPK1FGFR1FGFR2
SCHEMBL19688761 0.75 CHEK1 (0.63) CHEK1MAPK1FGFR1METAP2NOS1
SCHEMBL19223241 0.73 MAPT (0.50) CHEK1MAPK1NOS1KDM4EMEN1
SCHEMBL13692758 0.73 NOS1 (0.52) CHEK1TRPA1MAPK1FGFR1FGFR2
Nitrous Acid SCHEMBL13276538 0.73 ROCK2 (0.37) CHEK1TRPA1FGFR1FGFR2ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9422263-B2 Fluoro-substituted 3,5-dicyano-4-(1H-indazol-5-yl)-2,6-dimethyl-1,4-dihydropyridine derivatives and methods of use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-08-23 US disclosed
US-9422263-B2 Fluoro-substituted 3,5-dicyano-4-(1H-indazol-5-yl)-2,6-dimethyl-1,4-dihydropyridine derivatives and methods of use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-08-23 US disclosed
US-9422263-B2 Fluoro-substituted 3,5-dicyano-4-(1H-indazol-5-yl)-2,6-dimethyl-1,4-dihydropyridine derivatives and methods of use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-08-23 US disclosed
US-9073939-B2 Indazolyl-substituted dihydroisoxa-zolopyridines and methods of use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-07-07 US disclosed
US-9073939-B2 Indazolyl-substituted dihydroisoxa-zolopyridines and methods of use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-07-07 US disclosed
US-9073939-B2 Indazolyl-substituted dihydroisoxa-zolopyridines and methods of use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-07-07 US disclosed
US-8901139-B2 Tricyclic indole derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2014-12-02 US disclosed
CN-102573838-B Fluoro-substituted 3,5-dicyano-4-(1h-indazol-5-yl)-2,6-dimethyl-1,4-dihydropyridine derivatives and methods of use thereof BAYER SCHERING PHARMA AG 2014-09-24 CN disclosed
US-8822468-B2 3-Methyl-imidazo[1,2-b]pyridazine derivatives NOVARTIS AG (CH) 2014-09-02 US disclosed
US-8822468-B2 3-Methyl-imidazo[1,2-b]pyridazine derivatives NOVARTIS AG (CH) 2014-09-02 US disclosed
WO-2009149836-A1 ANNELLATED 4- (INDAZOLYL) -1,4-DIHYDROPYRIDINE DERIVATIVES AND METHODS OF USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-12-17 WO disclosed
US-20090264406-A1 3-METHYL-IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES NOVARTIS AG 2009-10-22 US disclosed
US-20090264406-A1 3-METHYL-IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES NOVARTIS AG 2009-10-22 US disclosed
US-20090264406-A1 3-METHYL-IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES NOVARTIS AG 2009-10-22 US disclosed
WO-2009106577-A1 IMIDAZO [1,2-B] PYRIDAZINE DERIVATIVES FOR THE TREATMENT OF C-MET TYROSINE KINASE MEDIATED DISEASE NOVARTIS AG (CH) 2009-09-03 WO disclosed
WO-2009106577-A1 IMIDAZO [1,2-B] PYRIDAZINE DERIVATIVES FOR THE TREATMENT OF C-MET TYROSINE KINASE MEDIATED DISEASE NOVARTIS AG (CH) 2009-09-03 WO disclosed
WO-2009032124-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2009-03-12 WO disclosed
WO-2009032116-A1 2, 3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS SCHERING CORPORATION (US) 2009-03-12 WO disclosed
WO-2009032123-A2 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS SCHERING CORPORATION (US) 2009-03-12 WO disclosed
WO-2009032125-A1 2,3-SUBSTITUTED AZAINDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS SCHERING CORPORATION (US) 2009-03-12 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-20090264406-A1 3-METHYL-IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES MET, ERBB2, ALK CHEK1 623/4885TRPA1 3323/4885MAPK1 172/4885

“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.