SCHEMBL1071858

SCHEMBL1071858

Cc1ccc2ccc[c]c2n1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.46
CCR1 P32246 2/20 0.42
RAB9A P51151 1/20 0.42
CCR5 P51681 1/20 0.42
METAP2 P50579 1/20 0.41
CCR8 P51685 1/20 0.36
PARP1 P09874 1/20 0.35
GLO1 Q04760 1/20 0.33
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
CASP6 P55212 1/20 0.32
CYP2A6 P11509 1/20 0.31

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
SCHEMBL3282411 0.76 NCF1 (0.45) NOS3NOS2
SCHEMBL3955189 0.76 CYP2A6 (0.33) CYP2A6
SCHEMBL16049760 0.76
SCHEMBL4851470 0.76 CYP3A4 (0.30)
SCHEMBL4358400 0.76 METAP2 (0.31) METAP2
SCHEMBL4842462 0.75 NCF1 (0.52) CYP1A2
SCHEMBL3956168 0.75 KDM4E (0.35) CYP1A2RAB9AKDM4EPOLBCYP2A6
SCHEMBL7976174 0.72 CYP1A2 (0.36) CYP1A2CYP2A6
SCHEMBL16720148 0.71 RAB9A (0.45) CYP1A2RAB9APARP1KDM4E
SCHEMBL3950907 0.71 SOS2 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230052586-A1 DISUBSTITUTED ALKYNE DERIVATIVES MERCK PATENT GMBH (DE) 2023-02-16 US claimed
EP-3898588-B1 DISUBSTITUTED ALKYNE DERIVATIVES MERCK PATENT GMBH (DE) 2023-01-11 EP claimed
WO-2021249969-A1 COMBINATION PRODUCT FOR THE TREATMENT OF CANCER DISEASES MERCK PATENT GMBH (DE) 2021-12-16 WO claimed
EP-3898588-A1 DISUBSTITUTED ALKYNE DERIVATIVES Merck Patent GmbH (DE) 2021-10-27 EP claimed
WO-2020127960-A1 DISUBSTITUTED ALKYNE DERIVATIVES MERCK PATENT GMBH (DE) 2020-06-25 WO claimed
EP-3071205-B1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS FORMA THERAPEUTICS INC (US) 2020-02-05 EP claimed
US-10377769-B2 Benzopiperazine compositions as BET bromodomain inhibitors FORMA THERAPEUTICS, INC. (US) 2019-08-13 US claimed
US-20180312524-A1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS FORMA THERAPEUTICS, INC. 2018-11-01 US claimed
US-9780310-B2 Heterocyclic compound for organic electroluminescent device and its application TOSOH CORPORATION (JP) 2017-10-03 US claimed
EP-2892892-B1 IMIDAZOLIN-5-ONE DERIVATIVES USEFUL AS FATTY ACID SYNTHASE (FASN) INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA NV (BE) 2017-05-31 EP claimed
EP-3071205-A1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS Forma Therapeutics, Inc. (US) 2016-09-28 EP claimed
US-20160257699-A1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS FORMA THERAPEUTICS, INC. 2016-09-08 US claimed
US-9422281-B2 Benzopiperazine compositions as BET bromodomain inhibitors FORMA THERAPEUTICS, INC. (US) 2016-08-23 US claimed
US-20160056388-A1 HETEROCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ITS APPLICATION TOSOH CORPORATION (JP) 2016-02-25 US claimed
US-20150232465-A1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS FORMA THERAPEUTICS, INC. 2015-08-20 US claimed
WO-2015074081-A1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS BAIR KENNETH W (US) 2015-05-21 WO claimed
US-7507732-B2 Cyclopentapyridine and tetrahydroquinoline derivatives PFIZER INC. (US) 2009-03-24 US claimed
EP-1453514-B1 PIPERAZINE DERIVATIVES FOR USE AS CCR-3 RECEPTOR ANTAGONISTS IN THE TREATMENT OF ASTHMA HOFFMANN LA ROCHE (CH) 2007-07-18 EP claimed
US-5378711-A α-arylacrylates substituted by a heterocyclic radical, and fungicides which contain these compounds BASF AKTIENGESELLSCHAFT (DE) 1995-01-03 US claimed
US-4530931-A 8-Quinoline carbanilates for the inhibition of lipolysis USV PHARMACEUTICAL CORP. (US) 1985-07-23 US claimed

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-20160056388-A1 HETEROCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ITS APPLICATION AOC2, AZI2, KCNH2 CYP1A2 978/4885CCR1 4739/4885RAB9A 2520/4885
US-20150232465-A1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS BRD4, BRPF3, BRD7 CYP1A2 1615/4885CCR1 1325/4885RAB9A 3717/4885
US-20180312524-A1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS BRD4, BRPF3, BRD7 CYP1A2 1615/4885CCR1 1325/4885RAB9A 3717/4885
US-10377769-B2 Benzopiperazine compositions as BET bromodomain inhibitors BRD4, BRPF3, BRD7 CYP1A2 1615/4885CCR1 1325/4885RAB9A 3717/4885
US-20160257699-A1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS BRD4, BRPF3, BRD7 CYP1A2 1615/4885CCR1 1325/4885RAB9A 3717/4885
US-20230052586-A1 DISUBSTITUTED ALKYNE DERIVATIVES BRCA1, MYC, PCNA CYP1A2 2867/4885CCR1 1901/4885RAB9A 3021/4885

“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.