SCHEMBL9134263

SCHEMBL9134263

Nc1ccccc1NCc1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.49
BACE1 P56817 1/20 0.49
APP P05067 1/20 0.48
HDAC2 Q92769 2/20 0.47
HDAC3 O15379 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
KCNH3 Q9ULD8 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
ALOX12 P18054 1/20 0.44
KMT2A Q03164 1/20 0.44
NSD2 O96028 2/20 0.44
CACNA1B Q00975 1/20 0.44
PLA2G1B P04054 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43

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
SCHEMBL7164883 0.90 BACE1 (0.56) HDAC1BACE1HDAC2HDAC3NCOR2
SCHEMBL396451 0.84 BACE1 (0.65) HDAC1BACE1APPHDAC2HDAC3
SCHEMBL29922357 0.84 BACE1 (0.65) HDAC1BACE1APPHDAC2HDAC3
SCHEMBL10353248 0.84 BACE1 (0.44) HDAC1BACE1APPHDAC2HDAC3
SCHEMBL19278371 0.82 TAAR1 (0.47) HDAC1HDAC2KDM4EALDH1A1KMT2A
SCHEMBL17177679 0.81 MEN1 (0.68) HDAC1BACE1HDAC2HDAC3NCOR2
SCHEMBL95038 0.81 MAPT (0.55) HDAC1BACE1APPHDAC2HDAC3
SCHEMBL11019341 0.81 MAPT (0.55) HDAC1BACE1APPHDAC2HDAC3
SCHEMBL17605132 0.81 MAOB (0.55) HDAC1KCNH3KDM4EMEN1ALDH1A1
SCHEMBL15722540 0.81 HDAC1 (0.43) HDAC1BACE1HDAC2HDAC3NCOR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220402880-A1 BICYCLIC INHIBITORS OF CBX CHROMODOMAINS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2022-12-22 US disclosed
US-11077107-B2 Triazolopyrazine BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2021-08-03 US disclosed
WO-2021061801-A1 BICYCLIC INHIBITORS OF CBX CHROMODOMAINS ICAHN SCHOOL OF MEDICINE AT MT. SINAI (US) 2021-04-01 WO disclosed
US-20190240219-A1 TRIAZOLOPYRAZINE BOEHRINGER INGELHEIM INT (DE) 2019-08-08 US disclosed
US-10328074-B2 Substituted [1,2,4]triazolo[4,3-a]pyrazines as BRD4 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-06-25 US disclosed
EP-2925761-B1 TRIAZOLOPYRAZINES AS BRD4 INHIBITORS FOR USE IN THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INT (DE) 2017-07-05 EP disclosed
CN-105218537-B Berberine benzimidazole compounds or pharmaceutically acceptable salts thereof as well as preparation methods and applications of berberine benzimidazole compounds or pharmaceutically acceptable salts of berberine benzimidazole compounds 西南大学 2017-01-11 CN disclosed
US-20160129001-A1 SUBSTITUTED [1,2,4]TRIAZOLO[4,3-a]PYRAZINES AS BRD4 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2016-05-12 US disclosed
US-20160129001-A1 SUBSTITUTED [1,2,4]TRIAZOLO[4,3-a]PYRAZINES AS BRD4 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2016-05-12 US disclosed
US-20140142098-A1 TRIAZOLOPYRAZINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-22 US disclosed
US-5461059-A Antihistamine; treats allergies and asthma LABORATOIRE THERAMEX S.A. (FR) 1995-10-24 US disclosed
EP-0505543-A1 NOVEL p-SUBSTITUTED PHENYL 4-OXYBUTANE AMINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LABORATOIRE THERAMEX (MC) 1992-09-30 EP disclosed
US-5151424-A Antiallergens or antihistamines JANSSEN PHARMACEUTICA N.V. (BE) 1992-09-29 US disclosed
EP-0297661-B1 [(Bicyclic heterocyclyl)methyl and -hetero] substituted hexahydro-1H-azepines and pyrrolidines JANSSEN PHARMACEUTICA N.V. (BE) 1992-09-16 EP disclosed
WO-1992006977-A1 NOVEL p-SUBSTITUTED PHENYL 4-OXYBUTANE AMINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LABORATOIRE THERAMEX S.A. (MC) 1992-04-30 WO disclosed
US-5071846-A Anti-hystaminic [(bicyclic heterocyclyl) methyl and --hetero] substituted hexahydro-1H-azepines and pyrrolidines JANSSEN PHARMACEUTICA N.V. (BE) 1991-12-10 US disclosed
US-4988689-A Antiallergens, antihistamines JANSSEN PHARMACEUTICA N.V. (BE) 1991-01-29 US disclosed
EP-0297661-A1 [(Bicyclic heterocyclyl)methyl and -hetero] substituted hexahydro-1H-azepines and pyrrolidines JANSSEN PHARMACEUTICA N.V. (BE) 1989-01-04 EP disclosed
EP-0005318-B1 N-HETEROCYCLYL-4-PIPERIDINAMINES, METHODS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, INTERMEDIATES THEREFOR, AND METHOD FOR THE PREPARATION OF THE INTERMEDIATES JANSSEN PHARMACEUTICA N.V. (BE) 1982-01-06 EP disclosed
US-4219559-A N-Heterocyclyl-4-piperidinamines JANSSEN PHARMACEUTICA N.V. (BE) 1980-08-26 US 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-20190240219-A1 TRIAZOLOPYRAZINE MKI67, CCNI, CCNT2 HDAC1 886/4885BACE1 3731/4885APP 3910/4885
US-20160129001-A1 SUBSTITUTED [1,2,4]TRIAZOLO[4,3-a]PYRAZINES AS BRD4 INHIBITORS BRD4, BRD3, BICRA HDAC1 22/4885BACE1 2869/4885APP 3621/4885
US-20140142098-A1 TRIAZOLOPYRAZINE MKI67, CCNI, CCNT2 HDAC1 886/4885BACE1 3731/4885APP 3910/4885
US-10328074-B2 Substituted [1,2,4]triazolo[4,3-a]pyrazines as BRD4 inhibitors BRD4, BRD3, BICRA HDAC1 22/4885BACE1 2869/4885APP 3621/4885
US-11077107-B2 Triazolopyrazine MKI67, CCNI, CCNT2 HDAC1 886/4885BACE1 3731/4885APP 3910/4885
US-20220402880-A1 BICYCLIC INHIBITORS OF CBX CHROMODOMAINS CBX2, CBX3, CBX7 HDAC1 216/4885BACE1 3985/4885APP 4585/4885

“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.