SCHEMBL2895870

SCHEMBL2895870

O=C(O)c1cc2cc3ccccc3nc2s1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.68
KDM4E B2RXH2 9/20 0.68
ALDH1A1 P00352 8/20 0.68
POLB P06746 7/20 0.68
GAA P10253 5/20 0.68
KMT2A Q03164 7/20 0.62
NPC1 O15118 1/20 0.62
RAB9A P51151 1/20 0.62
MEN1 O00255 6/20 0.61
HPGD P15428 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59
CTDSP1 Q9GZU7 4/20 0.58
CYP3A4 P08684 3/20 0.58
TDP1 Q9NUW8 3/20 0.58
LMNA P02545 2/20 0.58
CYP2C19 P33261 2/20 0.58
HTT P42858 1/20 0.58
CYP2C9 P11712 1/20 0.55
APEX1 P27695 1/20 0.55

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
SCHEMBL13295761 0.85 MAPT (0.71) MAPTKDM4EALDH1A1POLBGAA
SCHEMBL16335038 0.82 MAPT (0.71) MAPTKDM4EALDH1A1POLBGAA
SCHEMBL5228867 0.78 MAPT (0.54) MAPTKDM4EALDH1A1POLBGAA
SCHEMBL5943130 0.76 KMT2A (0.64) MAPTKDM4EALDH1A1POLBGAA
SCHEMBL844336 0.72 BCL2L1 (0.53) KDM4EALDH1A1KMT2AMEN1TDP1
Acridine SCHEMBL29143509 0.71 ALDH1A1 (0.62) MAPTKDM4EALDH1A1POLBGAA
SCHEMBL29438783 0.71 BCL2L1 (1.00) RAB9ABCL2L1L3MBTL1
Acridine SCHEMBL9644821 0.71 ALDH1A1 (0.62) MAPTKDM4EALDH1A1GAAKMT2A
SCHEMBL93858 0.71 BCL2L1 (1.00) RAB9ABCL2L1L3MBTL1
Acridine SCHEMBL8643076 0.70 ALDH1A1 (0.68) MAPTKDM4EALDH1A1POLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014207213-A1 NOVEL INHIBITORS OF PROTEIN KINASE C EPSILON SIGNALING MEDIZINISCHE UNIVERSITÄT INNSBRUCK (AT) 2014-12-31 WO disclosed
US-8884017-B2 2-heteroarylcarboxylic acid amides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-11-11 US disclosed
US-20120202842-A1 2-HETEROARYLCARBOXYLIC ACID AMIDES BAYER SCHERING PHARMA AG (DE) 2012-08-09 US disclosed
US-8076355-B2 2-heteroarylcarboxylic acid amides BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-13 US disclosed
US-20100249030-A1 ANTI-MITOTIC AGENT AND AURORA KINASE INHIBITOR COMBINATION AS ANTI-CANCER TREATMENT SCHERING CORPORATION 2010-09-30 US disclosed
US-20100222378-A1 2-HETEROARYLCARBOXYLIC ACID AMIDES BAYER SCHERING PHARMA AG (DE) 2010-09-02 US disclosed
US-7732477-B2 N-(1-azabicyclo[2.2.2]oct-3-yl)-heteroaryl carboxamides; alpha 7-nicotinic acetylcholine receptors (nAChR) agonists; improving perception, concentration, learning and memory; neuropathic pain; acute and chronic pain BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-08 US disclosed
WO-2009017701-A2 ANTI-MITOTIC AGENT AND AURORA KINASE INHIBITOR COMBINATION AS ANTI-CANCER TREATMENT SCHERING CORPORATION (US) 2009-02-05 WO disclosed
EP-1461335-B1 2-HETEROARYLCARBOXYLIC ACID AMIDES BAYER HEALTHCARE AG (DE) 2007-02-28 EP disclosed
US-20050119325-A1 N-(1-azabicyclo[2.2.2]oct-3-yl)-heteroaryl carboxamides; alpha 7-nicotinic acetylcholine receptors (nAChR) agonists; improving perception, concentration, learning and memory; neuropathic pain; acute and chronic pain FMR LLC 2005-06-02 US disclosed
EP-1461335-A1 2-HETEROARYLCARBOXYLIC ACID AMIDES Bayer HealthCare AG (DE) 2004-09-29 EP disclosed
WO-2003055878-A1 2-HETEROARYLCARBOXYLIC ACID AMIDES BAYER HEALTHCARE AG (DE) 2003-07-10 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 (4 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-20100222378-A1 2-HETEROARYLCARBOXYLIC ACID AMIDES HCAR2, HCAR1, GRIN2A MAPT 1209/4885KDM4E 1522/4885ALDH1A1 1358/4885
US-20100249030-A1 ANTI-MITOTIC AGENT AND AURORA KINASE INHIBITOR COMBINATION AS ANTI-CANCER TREATMENT AURKC, AURKA, AURKB MAPT 1628/4885KDM4E 1345/4885ALDH1A1 2905/4885
US-20050119325-A1 N-(1-azabicyclo[2.2.2]oct-3-yl)-heteroaryl carboxamides; alpha 7-nicotinic acetylcholine receptors (nAChR) agonists; improving perception, concentration, learning and memory; neuropathic pain; acute and chronic pain CHRNA2, CHRNA7, CHRNA3 MAPT 3031/4885KDM4E 1934/4885ALDH1A1 2223/4885
US-20120202842-A1 2-HETEROARYLCARBOXYLIC ACID AMIDES HCAR2, HCAR1, GRIN2A MAPT 1209/4885KDM4E 1522/4885ALDH1A1 1358/4885

“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.