SCHEMBL3590713

SCHEMBL3590713

Ic1nc(-c2ccccc2)nc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 4/20 0.56
CYP1A2 P05177 4/20 0.56
CYP1B1 Q16678 2/20 0.56
ABCG2 Q9UNQ0 5/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
PDE5A O76074 3/20 0.51
ATM Q13315 1/20 0.51
ACP1 P24666 5/20 0.50
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 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
SCHEMBL21927886 0.87 ABCG2 (0.48) CYP1A1CYP1A2CYP1B1ABCG2MEN1
SCHEMBL21925411 0.77 MEN1 (0.43) CYP1A1CYP1A2CYP1B1MEN1KMT2A
SCHEMBL24408180 0.77 CYP1A2 (0.44) CYP1A1CYP1A2CYP1B1ABCG2MEN1
SCHEMBL30484133 0.77 MEN1 (0.79) ABCG2MEN1KMT2APDE5AATM
SCHEMBL4393626 0.77 MEN1 (0.79) ABCG2MEN1KMT2APDE5AATM
SCHEMBL18459121 0.76 KDM4E (0.44) CYP1A1CYP1A2CYP1B1KMT2ATDP1
SCHEMBL384799 0.75 METAP1 (0.61) ABCG2MEN1KMT2APDE5AATM
SCHEMBL7351696 0.75 ACP1 (0.54) CYP1A1CYP1A2CYP1B1ABCG2MEN1
SCHEMBL2640214 0.75 ABCG2 (0.53) ABCG2MEN1KMT2APDE5AATM
SCHEMBL2876724 0.75 ABCG2 (0.53) ABCG2MEN1KMT2APDE5AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024013004-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2024-01-18 WO disclosed
WO-2021049843-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2021-03-18 WO disclosed
WO-2020109524-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-06-04 WO disclosed
US-20170092873-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2017-03-30 US disclosed
EP-2061764-B1 HETEROCYCLIC DERIVATIVES BINDING TO THE PERIPHERAL-TYPE BENZODIAZEPINE RECEPTOR (PBR) TECHNION RES & DEV FOUNDATION (IL) 2014-07-02 EP disclosed
EP-2061764-B1 HETEROCYCLIC DERIVATIVES BINDING TO THE PERIPHERAL-TYPE BENZODIAZEPINE RECEPTOR (PBR) TECHNION RES & DEV FOUNDATION (IL) 2014-07-02 EP disclosed
US-8541428-B2 Heterocyclic derivatives, pharmaceutical compositions and methods of use thereof TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2013-09-24 US disclosed
US-8541428-B2 Heterocyclic derivatives, pharmaceutical compositions and methods of use thereof TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2013-09-24 US disclosed
EP-2589597-A2 Heterocyclic derivatives binding to the peripheral-type benzodiazepine receptor (PBR) Technion Research & Development Foundation (IL) 2013-05-08 EP disclosed
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2011-11-03 US disclosed
US-20100029658-A1 HETEROCYCLIC DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2010-02-04 US disclosed
US-20100029658-A1 HETEROCYCLIC DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2010-02-04 US disclosed
EP-2061764-A1 HETEROCYCLIC DERIVATIVES BINDING TO THE PERIPHERAL-TYPE BENZODIAZEPINE RECEPTOR (PBR) Technion Research & Development Foundation LTD. (IL) 2009-05-27 EP disclosed
WO-2008023357-A1 HETEROCYCLIC DERIVATIVES BINDING TO THE PERIPHERAL-TYPE BENZODIAZEPINE RECEPTOR (PBR) TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2008-02-28 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-20170092873-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE OR10J3, OR51E2, OCIAD1 CYP1A1 153/4885CYP1A2 204/4885CYP1B1 35/4885
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, LIPC, HCCS CYP1A1 1193/4885CYP1A2 623/4885CYP1B1 1171/4885
US-20100029658-A1 HETEROCYCLIC DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF NQO1, SIRT5, KEAP1 CYP1A1 836/4885CYP1A2 315/4885CYP1B1 410/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS CYP1A1 3292/4885CYP1A2 2214/4885CYP1B1 2926/4885

“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.