SCHEMBL2640847

SCHEMBL2640847

NC1NC=Cc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.42
HTR6 P50406 1/20 0.33
PARP1 P09874 1/20 0.32
KDM4E B2RXH2 3/20 0.31
TP53 P04637 2/20 0.31
CYP3A4 P08684 2/20 0.31
HSD17B10 Q99714 2/20 0.31
MEN1 O00255 2/20 0.31
MAPT P10636 2/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
BRD4 O60885 1/20 0.31
CCL2 P13500 1/20 0.31
LMNA P02545 1/20 0.31
CHRM2 P08172 1/20 0.31
CYP2D6 P10635 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
SCHEMBL15987500 0.74 HTR2A (0.38) HTR2AHTR6PARP1KDM4ETP53
SCHEMBL13782351 0.74 HTR2A (0.38) HTR2AHTR6PARP1KDM4ETP53
SCHEMBL8285073 0.74 BRD4 (0.38) HTR2AHTR6PARP1KDM4ETP53
SCHEMBL13782587 0.74 HTR2A (0.38) HTR2AHTR6PARP1KDM4ETP53
SCHEMBL4295538 0.74 HTR2A (0.38) HTR2AHTR6PARP1KDM4ETP53
SCHEMBL10578702 0.74 HTR2A (0.38) HTR2AHTR6PARP1KDM4ETP53
SCHEMBL31072716 0.71 PRCP (0.43) HTR2APARP1KDM4ECYP3A4MEN1
SCHEMBL22345616 0.71 PRCP (0.43) HTR2APARP1KDM4ECYP3A4MEN1
SCHEMBL29768304 0.70 PRCP (0.45) HTR2APARP1KDM4EALDH1A1HTR2C
SCHEMBL28774779 0.70 PRCP (0.45) HTR2APARP1KDM4EALDH1A1HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106536502-B The phenyl tetrahydro isoquinoline compound being substituted by heteroaryl 大正制药株式会社 2019-03-05 CN disclosed
EP-3173408-B1 PHENYL TETRAHYDROISOQUINOLINE COMPOUND SUBSTITUTED WITH HETEROARYL TAISHO PHARMACEUTICAL CO LTD (JP) 2018-11-21 EP disclosed
US-9932331-B2 Phenyl tetrahydroisoquinoline compound substituted with heteroaryl TAISHO PHARMACEUTICAL CO., LTD. (JP) 2018-04-03 US disclosed
US-20170210736-A1 PHENYL TETRAHYDROISOQUINOLINE COMPOUND SUBSTITUTED WITH HETEROARYL TAISHO PHARMACEUTICAL CO., LTD (JP) 2017-07-27 US disclosed
EP-3173408-A1 PHENYL TETRAHYDROISOQUINOLINE COMPOUND SUBSTITUTED WITH HETEROARYL Taisho Pharmaceutical Co., Ltd. (JP) 2017-05-31 EP disclosed
CN-106536502-A Phenyl tetrahydroisoquinoline compound substituted with heteroaryl 大正制药株式会社 2017-03-22 CN disclosed
EP-2569298-A1 NOVEL CCR2 RECEPTOR ANTAGONISTS, METHOD FOR PRODUCING THE SAME, AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2013-03-20 EP disclosed
WO-2011141474-A1 NOVEL CCR2 RECEPTOR ANTAGONISTS, METHOD FOR PRODUCING THE SAME, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-17 WO disclosed
WO-2004019986-A1 METHODS OF TREATING ACUTE RESPIRATORY DISTRESS SYNDROME SCHERING AKTIENGESELLSCHAFT (DE) 2004-03-11 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 (1 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-20170210736-A1 PHENYL TETRAHYDROISOQUINOLINE COMPOUND SUBSTITUTED WITH HETEROARYL NHERF1, SLC9A3, SLC26A3 HTR2A 2248/4885HTR6 1201/4885PARP1 3132/4885

“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.