SCHEMBL19873692

SCHEMBL19873692

Cc1cccc(-c2cn(C(c3ccccc3)c3ccccc3)c(=O)n(C)c2=O)n1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.37
▸ CCR1 P32246 1/20 0.37
▸ CCR8 P51685 1/20 0.37
▸ TGFBR1 P36897 10/20 0.36
▸ ADORA2A P29274 1/20 0.34
▸ ADORA2B P29275 1/20 0.34
▸ MET P08581 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ STK4 Q13043 1/20 0.33
▸ STK3 Q13188 1/20 0.33
▸ SIK2 Q9H0K1 1/20 0.33
▸ STK26 Q9P289 1/20 0.33
▸ STK24 Q9Y6E0 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33

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 0.78 BRD4 (0.46) HTR2AADORA2AADORA2BMETMAPT
SCHEMBL19873784 0.76 GNRHR (0.39) HTR2AMAPTMAPK1
SCHEMBL30178497 0.76 GNRHR (0.39) HTR2AMAPTMAPK1
SCHEMBL17870799 0.75 VHL (0.41) HTR2AMETMAPT
SCHEMBL19873895 0.74 HTR2A (0.34) HTR2AADORA2AADORA2BMETMAPT
SCHEMBL17870808 0.74 CYP17A1 (0.37) HTR2AADORA2A
SCHEMBL17870731 0.74 GRM4 (0.40) HTR2AADORA2AMAPTMAPK1
SCHEMBL19873892 0.73 MAPT (0.33) HTR2AMAPT
SCHEMBL19873779 0.71 GAA (0.53) HTR2AMAPTALDH1A1
SCHEMBL17870828 0.70 BACE1 (0.37) HTR2AMAPTMAPK1ALDH1A1

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 5 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

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 HTR2A 231/4885CCR1 298/4885CCR8 405/4885
US-10246422-B2 Heterocyclic compounds and use thereof in medicine and in cosmetics MC1R, BDKRB2, CCKBR HTR2A 183/4885CCR1 308/4885CCR8 406/4885

“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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