SCHEMBL1014702

SCHEMBL1014702

O=c1nccnc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.50
MAPT P10636 3/20 0.48
KDM4E B2RXH2 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
TP53 P04637 2/20 0.47
RAB9A P51151 2/20 0.47
PTK2B Q14289 2/20 0.47
LOXL2 Q9Y4K0 1/20 0.47
PDPK1 O15530 1/20 0.47
CA12 O43570 1/20 0.47
PARP1 P09874 1/20 0.47
ALOX15 P16050 1/20 0.47
CA9 Q16790 1/20 0.47
TNKS2 Q9H2K2 1/20 0.47
HTR1A P08908 2/20 0.44
ADRA1D P25100 2/20 0.44
ADRA1A P35348 2/20 0.44
ADRA1B P35368 2/20 0.44
CYP3A4 P08684 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
SCHEMBL2714092 0.91 MAPT (0.61) NCF1MAPTKDM4ESMN1; SMN2NPC1
SCHEMBL1248587 0.74 MAPT (0.58) NCF1MAPTKDM4ESMN1; SMN2NPC1
SCHEMBL38657246 0.73 KDM4C (0.40) MAPTKDM4EPARP1
Quinoxaline SCHEMBL29355228 0.73 ALDH1A1 (0.58) NCF1MAPTKDM4ELOXL2HTR1A
Quinoxaline SCHEMBL30320908 0.73 ALDH1A1 (0.58) NCF1MAPTKDM4ELOXL2HTR1A
Quinoxaline SCHEMBL6928518 0.73 ALDH1A1 (0.58) NCF1MAPTKDM4ELOXL2HTR1A
Quinoxaline SCHEMBL5315 0.73 ALDH1A1 (0.58) NCF1MAPTKDM4ELOXL2HTR1A
SCHEMBL8127895 0.71 NCF1 (0.50) NCF1MAPTKDM4ESMN1; SMN2NPC1
SCHEMBL2877514 0.71 CYP3A4 (0.54) NCF1MAPTKDM4ESMN1; SMN2NPC1
SCHEMBL128548 0.71 NCF1 (0.56) NCF1MAPTKDM4ESMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112979658-B Preparation method of flumazenil 南湖实验室 2022-05-31 CN claimed
US-8063204-B2 Benzothiazole and benzoxazole linked pyrrolo[2,1-c] [1, 4] benzodiazepine hybrids as novel antitumour agents and process for the preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2011-11-22 US claimed
EP-2350085-A1 QUINAZOLINONE LINKED PYRROLOÝ2,1 -C¨Ý1.4¨BENZODIAZEPINE HYBRIDS AS POTENTIAL ANTICANCER AGENTS AND PROCESS FORTHE PREPARATION THEREOF Council Of Scientific & Industrial Research (IN) 2011-08-03 EP claimed
WO-2010058416-A1 QUINAZOLINONE LINKED PYRROLO[2,1 -C][1.4]BENZODIAZEPINE HYBRIDS AS POTENTIAL ANTICANCER AGENTS AND PROCESS FORTHE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2010-05-27 WO claimed
EP-2061795-A2 PYRROLO[2,1-C][1,4]BENZODIAZEPINE HYBRIDS AND A PROCESS FOR THE PREPARATION THEREOF Council Of Scientific&industrial Research (IN) 2009-05-27 EP claimed
WO-2008020455-A2 PYRROLO[2,1-C][1,4]BENZODIAZEPINE HYBRIDS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2008-02-21 WO claimed
WO-2008020456-A2 PYRROLO[2,1-C][1,4]BENZODIAZEPINE HYBRIDS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2008-02-21 WO claimed
WO-2007054954-A1 A NOVEL PYRROLO[2,1-C][1,4]BENZODIAZEPINE HYBRID AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2007-05-18 WO claimed
WO-2005089515-A9 METHODS FOR THE TREATMENT OF SYNUCLEINOPATHIES BRIGHAM & WOMENS HOSPITAL (US) 2006-01-26 WO claimed
WO-2005089515-A2 METHODS FOR THE TREATMENT OF SYNUCLEINOPATHIES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2005-09-29 WO claimed
EP-0987266-A1 BIPHENYL DERIVATIVES AND MEDICINAL COMPOSITIONS Wakamoto Pharmaceutical Co., Ltd. (JP) 2000-03-22 EP claimed
US-5962337-A ATTACHING AMINO-PROTECTED ALPHA AMINOACID WHICH MAY BE N-ALKYLATED TO SOLID SUPPORT VIA CARBOXYL GROUP, CLEAVING AMINO PROTECTING GROUP, ACYLATING WITH 2-AZIDOBENZOYL CHLORIDE, CYCLIZING VIA AZA-WITTIG RING CLOSURE PHARMACOPEIA, INC. (US) 1999-10-05 US claimed
EP-0850238-A4 COMBINATORIAL 1,4-BENZODIAZEPIN-2,5-DIONE LIBRARY PHARMACOPEIA INC (US) 1998-10-07 EP claimed
EP-0850238-A1 COMBINATORIAL 1,4-BENZODIAZEPIN-2,5-DIONE LIBRARY PHARMACOPEIA, INC. (US) 1998-07-01 EP claimed
WO-1997001560-A1 COMBINATORIAL 1,4-BENZODIAZEPIN-2,5-DIONE LIBRARY PHARMACOPEIA, INC. (US) 1997-01-16 WO claimed
EP-0393604-A2 6,11-Dihydro-5H-pyrido(2,3-b)(1,5,)benzodiazepin-5-ones and thiones and their use in the prevention or treatment of AIDS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 1990-10-24 EP claimed
US-20260137700-A1 PHARMACEUTICAL COMBINATION OF PRMT5 INHIBITOR AND DNA DAMAGE-INDUCING SUBSTANCE SK BIOPHARMACEUTICALS CO LTD (KR) 2026-05-21 US disclosed
US-20250216392-A1 NOVEL ANTI-CD38 ANTIBODIES FOR THE TREATMENT OF CANCER SANOFI-AVENTIS (FR) 2025-07-03 US disclosed
WO-1981000568-A1 BENZODIAZEPINONES,A PROCESS FOR THEIR PREPARATION,THEIR USE AND MEDICAMENTS CONTAINING THEM BYK GULDEN LOMBERG CHEM FAB (DE) 1981-03-05 WO disclosed
US-4111934-A MUSCLE RELAXANT, ANTICONVULSANT, SEDATIVE HOFFMANN-LA ROCHE INC. (US) 1978-09-05 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 (2 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-20250216392-A1 NOVEL ANTI-CD38 ANTIBODIES FOR THE TREATMENT OF CANCER CD38, MCL1, CD2 NCF1 951/4885MAPT 4515/4885KDM4E 894/4885
US-20260137700-A1 PHARMACEUTICAL COMBINATION OF PRMT5 INHIBITOR AND DNA DAMAGE-INDUCING SUBSTANCE PRMT5, PRMT1, PRMT6 NCF1 1076/4885MAPT 4880/4885KDM4E 327/4885

“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.