SCHEMBL5679579

SCHEMBL5679579

Cc1nc2cc(C(F)(F)F)ccc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.57
GAA P10253 1/20 0.57
HSD17B10 Q99714 1/20 0.57
KDM4E B2RXH2 2/20 0.56
POLB P06746 1/20 0.56
HPGD P15428 1/20 0.56
KIF11 P52732 4/20 0.49
NPBWR1 P48145 2/20 0.48
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
METAP2 P50579 1/20 0.42
FGFR1 P11362 1/20 0.42
FGFR2 P21802 1/20 0.42
FGFR3 P22607 1/20 0.42
SCN10A Q9Y5Y9 1/20 0.41
DGAT1 O75907 1/20 0.41
KCNH2 Q12809 1/20 0.41
CHUK O15111 1/20 0.41
CHRNB2 P17787 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
SCHEMBL12020707 0.86 MAPT (0.76) MAPTGAAHSD17B10KDM4EPOLB
SCHEMBL4393880 0.84 MAPT (0.50) MAPTGAAHSD17B10KDM4EPOLB
SCHEMBL5681855 0.80 NPSR1 (0.59) MAPTGAAHSD17B10KDM4EPOLB
SCHEMBL12109658 0.80 MAPT (0.45) MAPTGAAHSD17B10KDM4EPOLB
SCHEMBL10284433 0.79 KIF11 (0.47) MAPTHSD17B10KDM4EPOLBHPGD
SCHEMBL11818482 0.79 MAPT (0.46) MAPTGAAHSD17B10KDM4EPOLB
SCHEMBL666767 0.79 NPBWR1 (0.43) KDM4EKIF11NPBWR1METAP2DGAT1
SCHEMBL21496795 0.79 NPBWR1 (0.43) KDM4EKIF11NPBWR1METAP2SCN10A
SCHEMBL18628731 0.79 NPBWR1 (0.43) KDM4EKIF11NPBWR1METAP2SCN10A
SCHEMBL711944 0.79 NPBWR1 (0.43) KDM4EKIF11NPBWR1METAP2SCN10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024108147-A1 COMPOUNDS, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2024-05-23 WO disclosed
WO-2021145520-A1 7-AMINO-3,4-DIHYDROPYRIMIDOPYRIMIDIN-2-ONE DERIVATIVE HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASES AND THERAPEUTIC PHARMACEUTICAL COMPOSITION COMPRISING SAME 한국과학기술연구원 2021-07-22 WO disclosed
US-11040966-B2 Benzimidazole-proline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2021-06-22 US disclosed
EP-3185865-B1 TETRAHYDRONAPTHTYRIDINE DERIVATIVES AS MGLUR2 NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE. MERCK SHARP & DOHME (US) 2020-07-15 EP disclosed
US-20190263797-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2019-08-29 US disclosed
US-10329287-B2 Benzimidazole-proline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2019-06-25 US disclosed
EP-2970158-B1 ALKYL-HETEROARYL SUBSTITUTED QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS BIOELECTRON TECH CORP (US) 2019-02-20 EP disclosed
EP-2922845-B1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF MERIAL INC (US) 2018-06-20 EP disclosed
US-9914721-B2 Use of benzimidazole-proline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2018-03-13 US disclosed
US-20170313989-A1 INHIBITION AND ENHANCEMENT OF REPROGRAMMING BY CHROMATIN MODIFYING ENZYMES CHILDREN'S MEDICAL CENTER CORPORATION (US) 2017-11-02 US disclosed
US-20110130381-A1 SMALL MOLECULE INHIBITORS OF PLASMODIUM FALCIPARUM DIHYDROOROTATE DEHYDROGENASE GENZYME CORPORATION 2011-06-02 US disclosed
US-7691870-B2 Benzimidazole carboxamides as raf kinase inhibitors MERCK PATENT GMBH (DE) 2010-04-06 US disclosed
US-7691870-B2 Benzimidazole carboxamides as raf kinase inhibitors MERCK PATENT GMBH (DE) 2010-04-06 US disclosed
US-7652023-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-26 US disclosed
WO-2009137081-A2 SMALL MOLECULE INHIBITORS OF PLASMODIUM FALCIPARUM DIHYDROOROTATE DEHYDROGENASE MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-11-12 WO disclosed
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
US-20070093532-A1 Benzimidazole carboxamides as raf kinase inhibitors MERCK PATENT GMBH (DE) 2007-04-26 US disclosed
US-20070093532-A1 Benzimidazole carboxamides as raf kinase inhibitors MERCK PATENT GMBH (DE) 2007-04-26 US disclosed
EP-1620413-A2 COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2006-02-01 EP disclosed
WO-2004098494-A2 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2004-11-18 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 (6 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-20070093532-A1 Benzimidazole carboxamides as raf kinase inhibitors BRAF, RAF1, ARAF MAPT 3490/4885GAA 733/4885HSD17B10 1852/4885
US-20110130381-A1 SMALL MOLECULE INHIBITORS OF PLASMODIUM FALCIPARUM DIHYDROOROTATE DEHYDROGENASE DHODH, DLD, MDH1 MAPT 2356/4885GAA 1008/4885HSD17B10 73/4885
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 MAPT 4114/4885GAA 1018/4885HSD17B10 255/4885
US-10329287-B2 Benzimidazole-proline derivatives HCRTR1, HCRTR2, NPY1R MAPT 1824/4885GAA 2500/4885HSD17B10 3219/4885
US-11040966-B2 Benzimidazole-proline derivatives HCRTR1, HCRTR2, NPY1R MAPT 1824/4885GAA 2500/4885HSD17B10 3219/4885
US-20190263797-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES HCRTR1, HCRTR2, NPY1R MAPT 1824/4885GAA 2500/4885HSD17B10 3219/4885

“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.