SCHEMBL13996487

SCHEMBL13996487

CCNc1n[nH]c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UTS2R Q9UKP6 1/20 0.50
▸ TRPA1 O75762 1/20 0.50
▸ KDM4E B2RXH2 4/20 0.47
▸ GAA P10253 2/20 0.47
▸ PDPK1 O15530 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ ACHE P22303 1/20 0.47
▸ FADS1 O60427 2/20 0.46
▸ ADRA2A P08913 2/20 0.46
▸ MAPK10 P53779 6/20 0.46
▸ MAPK8 P45983 3/20 0.46
▸ CDK2 P24941 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ ALPL P05186 1/20 0.44
▸ IDO1 P14902 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ TTK P33981 1/20 0.44
▸ YTHDC1 Q96MU7 1/20 0.44
▸ STAT3 P40763 1/20 0.44

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
SCHEMBL3243994 0.86 UTS2R (0.52) UTS2RTRPA1KDM4EGAAPDPK1
SCHEMBL1662606 0.82 UTS2R (0.56) UTS2RTRPA1KDM4ECYP3A4ACHE
SCHEMBL19505620 0.81 TRPA1 (0.50) TRPA1KDM4EGAAPDPK1CYP3A4
SCHEMBL700943 0.81 TRPA1 (0.50) TRPA1KDM4EGAAPDPK1CYP3A4
SCHEMBL5410969 0.81 TRPA1 (0.46) TRPA1KDM4EGAAPDPK1CYP3A4
SCHEMBL1274224 0.80 MAPK10 (0.61) UTS2RACHEMAPK10MAPK8
SCHEMBL3104864 0.79 KDM4E (0.48) TRPA1KDM4EGAAPDPK1CYP3A4
SCHEMBL11756891 0.79 TRPA1 (0.54) TRPA1KDM4EGAAPDPK1CYP3A4
SCHEMBL31032755 0.79 TRPA1 (0.54) TRPA1KDM4EGAAPDPK1CYP3A4
SCHEMBL10831906 0.78 GAA (0.51) TRPA1GAAACHEADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912714-B2 Spiropyrrolidine derived antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2024-02-27 — — US disclosed
US-20230151019-A1 NOVEL SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2023-05-18 — — US disclosed
EP-3399968-B1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE CS PHARMATECH LTD (KY) 2021-10-20 — — EP disclosed
US-10435388-B2 Selective inhibitors of clinically important mutants of the EGFR tyrosine kinase CS PHARMATECH LIMITED (KY) 2019-10-08 — — US disclosed
US-20190023689-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE HIGH GREAT INVESTMENT LIMITED (HK) 2019-01-24 — — US disclosed
EP-3399968-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE CS Pharmatech Limited (KY) 2018-11-14 — — EP disclosed
WO-2017120429-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE CS Pharmasciences, Inc. (US) 2017-07-13 — — WO disclosed
US-7465726-B2 Substituted pyrrolo[2.3-B]pyridines OSI PHARMACEUTICALS, INC. (US) 2008-12-16 — — US disclosed
CN-100384417-C Pyranoindazoles and use thereof for preparing medicament for treating glaucoma ALCON INC (CH) 2008-04-30 — — CN disclosed
CN-1592619-A Pyranoindazoles and their use for the treatment of glaucoma ALCON INC (CH) 2005-03-09 — — CN 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 (4 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-20230151019-A1 NOVEL SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ACE, ACE2, PKD1 UTS2R 3259/4885TRPA1 963/4885KDM4E 2622/4885
US-10435388-B2 Selective inhibitors of clinically important mutants of the EGFR tyrosine kinase EGFR, ERBB3, ERBB2 UTS2R 2503/4885TRPA1 4748/4885KDM4E 1867/4885
US-11912714-B2 Spiropyrrolidine derived antiviral agents ACE, ACE2, PKD1 UTS2R 3353/4885TRPA1 856/4885KDM4E 2624/4885
US-20190023689-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE EGFR, ERBB3, ERBB2 UTS2R 2503/4885TRPA1 4748/4885KDM4E 1867/4885

“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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