SCHEMBL17870828

SCHEMBL17870828

Cn1c(=O)c(-c2cncc(Cl)c2)cn(C(c2ccccc2)c2ccccc2)c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 3/20 0.37
▸ GRIN1 Q05586 4/20 0.36
▸ GRIN2B Q13224 4/20 0.36
▸ FNTA P49354 2/20 0.33
▸ FNTB P49356 2/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ TRPC5 Q9UL62 1/20 0.33
▸ CYP19A1 P11511 2/20 0.33
▸ PTGES O14684 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ OPRM1 P35372 1/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ WEE1 P30291 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
SCHEMBL15538152 0.81 BRD4 (0.46) HTR2AMAPTKDM4EGAAMAPK1
SCHEMBL19873895 0.76 HTR2A (0.34) HTR2AMAPTGAAOPRK1MAPK1
SCHEMBL17870731 0.74 GRM4 (0.40) HTR2AMAOBMAPTMAPK1
SCHEMBL17870808 0.74 CYP17A1 (0.37) HTR2AMAOB
SCHEMBL17870799 0.70 VHL (0.41) HTR2AMAPT
SCHEMBL19873779 0.69 GAA (0.53) HTR2AMAPTALDH1A1GAAOPRM1
SCHEMBL30178497 0.68 GNRHR (0.39) HTR2AMAPTKDM4EMAPK1
SCHEMBL19873784 0.68 GNRHR (0.39) HTR2AMAPTKDM4EMAPK1
SCHEMBL19873892 0.66 MAPT (0.33) HTR2AMAPTGAA
SCHEMBL17870730 0.65 LRRK2 (0.39) BACE1GRIN1GRIN2BTRPC5HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107428744-B Novel heterocyclic compounds and their use in medicine and cosmetics 盖尔德马研究及发展公司 2021-09-24 — — CN disclosed
EP-3708566-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN MEDICINE AND IN COSMETICS Galderma Research & Development (FR) 2020-09-16 — — EP disclosed
EP-3237403-B1 NOVEL HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2020-05-06 — — EP disclosed
US-10246422-B2 Heterocyclic compounds and use thereof in medicine and in cosmetics GALDERMA RESEARCH & DEVELOPMENT (FR) 2019-04-02 — — US disclosed
US-20180050992-A1 NOVEL HETEROCYCLIC COMPOUNDS AND USE THEREOF IN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2018-02-22 — — US disclosed
EP-3237403-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN MEDICINE AND IN COSMETICS Galderma Research & Development (FR) 2017-11-01 — — EP disclosed
WO-2016102882-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2016-06-30 — — 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 (2 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-20180050992-A1 NOVEL HETEROCYCLIC COMPOUNDS AND USE THEREOF IN MEDICINE AND IN COSMETICS MC1R, CALCRL, BDKRB2 BACE1 304/4885GRIN1 682/4885GRIN2B 516/4885
US-10246422-B2 Heterocyclic compounds and use thereof in medicine and in cosmetics MC1R, BDKRB2, CCKBR BACE1 325/4885GRIN1 735/4885GRIN2B 551/4885

“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.

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