SCHEMBL3871509

SCHEMBL3871509

Clc1ccnc(Nc2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.52
TYK2 P29597 1/20 0.52
MAPT P10636 4/20 0.50
RAB9A P51151 3/20 0.50
CDK2 P24941 2/20 0.50
NPC1 O15118 2/20 0.50
CHEK1 O14757 1/20 0.50
IKBKB O14920 1/20 0.50
AURKA O14965 1/20 0.50
PDPK1 O15530 1/20 0.50
CHEK2 O96017 1/20 0.50
PRKCG P05129 1/20 0.50
CDK1 P06493 1/20 0.50
LYN P07948 1/20 0.50
KIT P10721 1/20 0.50
PIM1 P11309 1/20 0.50
FGFR1 P11362 1/20 0.50
FGFR3 P22607 1/20 0.50
RPS6KB1 P23443 1/20 0.50
MARK3 P27448 1/20 0.50

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
SCHEMBL31240706 0.85 SCN9A (0.46) JAK2TYK2GRM4ROCK1HTR3E
SCHEMBL31240789 0.82 ABL1 (0.48) MAPTRAB9ACDK2PRKCDGRM4
SCHEMBL31031226 0.81 SCN9A (0.48) JAK2TYK2MAPTCDK2NPC1
SCHEMBL16926547 0.81 MEN1 (0.53) JAK2TYK2RAB9ANPC1PIM1
SCHEMBL29066282 0.80 ACVRL1 (0.61) JAK2TYK2MAPTRAB9ACDK2
SCHEMBL31240709 0.80 RAB9A (0.63) JAK2TYK2MAPTRAB9ANPC1
SCHEMBL16926594 0.78 GRM4 (0.54) JAK2TYK2MAPTPRKCDGRM4
SCHEMBL6157207 0.78 ABCG2 (0.50) KCNH2SCN5ASCN9AMAPK10
SCHEMBL23588551 0.77 KCNH2 (0.58) JAK2TYK2MAPTRAB9ACDK2
SCHEMBL18298629 0.77 ALK (0.53) JAK2TYK2MAPTRAB9ACDK2

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
US-20210087168-A1 PROSTACYCLIN RECEPTOR AGONIST MEDSHINE DISCOVERY INC. (CN) 2021-03-25 US disclosed
EP-3750879-A1 PROSTACYCLIN RECEPTOR AGONIST Medshine Discovery Inc. (CN) 2020-12-16 EP disclosed
WO-2019154363-A1 PROSTACYCLIN RECEPTOR AGONIST 南京明德新药研发有限公司 2019-08-15 WO disclosed
CN-105331447-A Sterilizing cleaning composition with rich and stable foam LI BIDAN 2016-02-17 CN disclosed
WO-2010089773-A2 PROCESS FOR PREPARATION OF NITROPYRIDINE DERIVATIVES INDOCO REMEDIES LIMITED (IN) 2010-08-12 WO disclosed
US-6235730-B1 ANTICHOLESTEROL AGENT, ANTILIPEMIC AGENT JAPAN TOBACCO, INC. (JP) 2001-05-22 US disclosed
CN-1252068-A 3-piperidyl-4-oxoquinazoline derivatives and pharmaceutical compositions containing the same JAPAN TOBACCO INC (JP) 2000-05-03 CN disclosed
EP-0970954-A1 3-PIPERIDYL-4-OXOQUINAZOLINE DERIVATIVES AND MEDICINCAL COMPOSITIONS CONTAINING THE SAME JAPAN TOBACCO INC. (JP) 2000-01-12 EP 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-20210087168-A1 PROSTACYCLIN RECEPTOR AGONIST PTGIR, TBXA2R, PTGFR JAK2 791/4885TYK2 3549/4885MAPT 4580/4885

“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.