SCHEMBL3490259

SCHEMBL3490259

Nc1ccc(-n2ccnc2)cc1N

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.63
MAPT P10636 1/20 0.63
CYP19A1 P11511 2/20 0.56
CYP11B1 P15538 2/20 0.56
CYP11B2 P19099 2/20 0.56
ENPP2 Q13822 1/20 0.53
MKNK1 Q9BUB5 1/20 0.53
MKNK2 Q9HBH9 1/20 0.53
NOTUM Q6P988 1/20 0.53
IDO1 P14902 2/20 0.53
CYP3A4 P08684 3/20 0.52
NCOA3 Q9Y6Q9 1/20 0.50
MEN1 O00255 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
KMT2A Q03164 1/20 0.50
HDAC1 Q13547 1/20 0.49
PDE2A O00408 1/20 0.49
PDE3B Q13370 1/20 0.49
PDE3A Q14432 1/20 0.49

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
SCHEMBL1449607 0.84 LMNA (0.58) LMNAMAPTCYP19A1CYP11B1CYP11B2
SCHEMBL993223 0.84 LMNA (0.58) LMNAMAPTCYP19A1CYP11B1CYP11B2
SCHEMBL29495237 0.84 LMNA (0.58) LMNAMAPTCYP19A1CYP11B1CYP11B2
SCHEMBL14259451 0.84 LMNA (0.58) LMNAMAPTCYP19A1CYP11B1CYP11B2
SCHEMBL6259515 0.84 LMNA (0.58) LMNAMAPTCYP19A1CYP11B1CYP11B2
SCHEMBL24359738 0.82 LMNA (0.56) LMNAMAPTCYP19A1CYP11B1CYP11B2
SCHEMBL27671178 0.81 LMNA (0.54) LMNAMAPTCYP19A1CYP11B1CYP11B2
SCHEMBL12586939 0.80 CYP11B1 (0.57) LMNAMAPTCYP19A1CYP11B1CYP11B2
SCHEMBL7475855 0.80 LMNA (0.53) LMNAMAPTCYP19A1CYP11B1CYP11B2
SCHEMBL972890 0.80 HDAC1 (0.55) LMNAMAPTCYP19A1CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11100368-A None JP disclosed
US-10961202-B2 Bis-benzimidazole compounds and methods of using the same THE SCRIPPS RESEARCH INSTITUTE (US) 2021-03-30 US disclosed
US-10961202-B2 Bis-benzimidazole compounds and methods of using the same THE SCRIPPS RESEARCH INSTITUTE (US) 2021-03-30 US disclosed
EP-3710442-A2 BIS-BENZIMIDAZOLE COMPOUNDS AND METHODS OF USING THE SAME The Scripps Research Institute (US) 2020-09-23 EP disclosed
US-20190152924-A1 BIS-BENZIMIDAZOLE COMPOUNDS AND METHODS OF USING THE SAME UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2019-05-23 US disclosed
US-20190152924-A1 BIS-BENZIMIDAZOLE COMPOUNDS AND METHODS OF USING THE SAME UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2019-05-23 US disclosed
CN-105693730-A Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors 西格诺药品有限公司 2016-06-22 CN disclosed
US-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2010-04-15 US disclosed
US-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2010-04-15 US disclosed
US-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2010-04-15 US disclosed
EP-2125805-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY Astex Therapeutics Limited (GB) 2009-12-02 EP disclosed
WO-2008075109-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2008-06-26 WO disclosed
WO-2008075109-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2008-06-26 WO disclosed
WO-2007045096-A1 OLIGOHETEROAROMATIC LUMINISCENT ASSEMBLIES AS HIGH-AFFINITY DNA SEQUENCE-DIRECTED LIGANDS UNIVERSITY OF SASKATCHEWAN (CA) 2007-04-26 WO disclosed
EP-0894795-B1 Benzimidazole, benzoxazole and benzothiazole derivatives, their preparation and pharmaceutical compositions containing them ADIR (FR) 2001-06-06 EP disclosed
US-6040327-A INHIBITORS OF INTERLEUKINS; TREATING RHEUMATOID ARTHRITIS OR ARTHROSIS ADIR ET COMPAGNIE (FR) 2000-03-21 US disclosed
WO-1999026932-A1 BY AMIDINO GROUP SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTICOAGULANTS AXYS PHARMACEUTICALS, INC. (US) 1999-06-03 WO disclosed
JP-H11100368-A NEW BENZIMIDAZOLE, BENZOXAZOLE AND BENZOTHIAZOLE COMPOUND AND PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME ADIR 1999-04-13 JP disclosed
EP-0894795-A1 Benzimidazole, benzoxazole and benzothiazole derivatives, their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1999-02-03 EP disclosed
WO-1996040997-A1 METHOD OF FLUORESCENT DETECTION OF NUCLEIC ACIDS AND CYTOSKELETON ELEMENTS USING BIS-DICATIONIC ARYL FURANS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1996-12-19 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 (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-10961202-B2 Bis-benzimidazole compounds and methods of using the same HNRNPH1, HNRNPH3, HNRNPUL2 LMNA 963/4885MAPT 60/4885CYP19A1 4598/4885
US-20190152924-A1 BIS-BENZIMIDAZOLE COMPOUNDS AND METHODS OF USING THE SAME HNRNPH1, HNRNPH3, HNRNPUL2 LMNA 963/4885MAPT 60/4885CYP19A1 4598/4885
US-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY PRKAR2B, GRK3, PRKAR2A LMNA 1923/4885MAPT 3625/4885CYP19A1 2474/4885

“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.