SCHEMBL15635331

SCHEMBL15635331

Cc1ccc2c(Br)cc(Br)cc2n1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 4/20 0.44
CYP1A2 P05177 4/20 0.41
POLB P06746 2/20 0.39
MPO P05164 1/20 0.38
CCR1 P32246 1/20 0.38
RAB9A P51151 1/20 0.38
CCR5 P51681 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
CASP6 P55212 1/20 0.37
NR4A2 P43354 1/20 0.37
PTPN1 P18031 1/20 0.36
ALDH1A1 P00352 2/20 0.35

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
SCHEMBL18564070 0.84 POLB (0.52) NQO2CYP1A2POLBMPOKDM4E
SCHEMBL25156298 0.79 NPSR1 (0.44) NQO2POLBMPORAB9AKDM4E
SCHEMBL23619772 0.76 NQO2 (0.44) NQO2POLBMPORAB9A
SCHEMBL25544348 0.76 CYP1A2 (0.50) NQO2CYP1A2POLBKDM4ELMNA
SCHEMBL23619770 0.76 NQO2 (0.42) NQO2CYP1A2KDM4EALDH1A1
SCHEMBL11808986 0.73 PRNP (0.39) NQO2CYP1A2MPOLMNAALDH1A1
SCHEMBL2223768 0.73 BACE1 (0.60) CYP1A2POLBCCR1ALDH1A1
SCHEMBL29923580 0.73 BACE1 (0.60) CYP1A2POLBCCR1ALDH1A1
SCHEMBL2222111 0.72 CYP1A2 (0.61) CYP1A2POLBCCR1RAB9ACCR5
SCHEMBL30390874 0.72 CYP1A2 (0.61) CYP1A2POLBCCR1RAB9ACCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4079724-A1 FUSED RING COMPOUND AND APPLICATION THEREOF Wuhan LL Science and Technology Development Co., Ltd. (CN) 2022-10-26 EP disclosed
EP-2903612-B1 TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS EPAC INHIBITORS INST NAT SANTE RECH MED (FR) 2019-07-10 EP disclosed
US-10093627-B2 Tetrahydroquinoline derivatives and their use as Epac inhibitors INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2018-10-09 US disclosed
US-20180009757-A1 Tetrahydroquinoline Derivatives and Their Use as Epac Inhibitors Universite Paris-Saclay (FR) 2018-01-11 US disclosed
US-9751838-B2 Tetrahydroquinoline derivatives and their use as Epac inhibitors INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2017-09-05 US disclosed
US-20150252002-A1 TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS EPAC INHIBITORS Universite Paris-Saclay (FR) 2015-09-10 US disclosed
EP-2903612-A1 TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS EPAC INHIBITORS Institut National de la Santé et de la Recherche Médicale (INSERM) (FR) 2015-08-12 EP disclosed
WO-2014053315-A1 TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS EPAC INHIBITORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2014-04-10 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 (3 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-10093627-B2 Tetrahydroquinoline derivatives and their use as Epac inhibitors EPAS1, RAPGEF3, PRKCQ NQO2 944/4885CYP1A2 1878/4885POLB 3903/4885
US-20180009757-A1 Tetrahydroquinoline Derivatives and Their Use as Epac Inhibitors EPAS1, RAPGEF3, PRKCQ NQO2 944/4885CYP1A2 1878/4885POLB 3903/4885
US-20150252002-A1 TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS EPAC INHIBITORS EPAS1, RAPGEF3, PRKCQ NQO2 944/4885CYP1A2 1878/4885POLB 3903/4885

“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.