SCHEMBL21590732

SCHEMBL21590732

Cc1onc(-c2ccc(C(F)(F)F)nc2)c1CCl

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 10/20 0.46
GABRA5 P31644 5/20 0.43
CASP3 P42574 1/20 0.42
KCNH2 Q12809 2/20 0.39
GPBAR1 Q8TDU6 1/20 0.38
PIK3CA P42336 1/20 0.37
MTOR P42345 1/20 0.37

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
SCHEMBL20258903 0.86 GABRA1 (0.48) GABRA1GABRA5KCNH2GPBAR1PIK3CA
SCHEMBL21590459 0.81 GABRA1 (0.52) GABRA1
SCHEMBL30062683 0.81 GABRA1 (0.52) GABRA1
SCHEMBL5775028 0.80 GABRA5 (0.52) GABRA5CASP3GPBAR1
SCHEMBL21590958 0.80 GABRA1 (0.45) GABRA1GABRA5CASP3
SCHEMBL27116797 0.79 GABRA5 (0.41) GABRA1GABRA5
SCHEMBL21590852 0.78 GABRA1 (0.40) GABRA1GABRA5CASP3GPBAR1
SCHEMBL21590867 0.77 GABRA5 (0.34) GABRA1GABRA5
SCHEMBL286512 0.75 GABRA5 (0.49) GABRA5KCNH2GPBAR1
SCHEMBL21590814 0.75 GABRA1 (0.50) GABRA1GABRA5PIK3CAMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12637455-B2 Naphthyridine and pyrido[3,4-c]pyridazine derivatives as GABAA α5 receptor modulators RICHTER GEDEON NYRT. (HU) 2026-05-26 US disclosed
US-20250051323-A1 BICYCLIC AMINE DERIVATIVES AS GABAA alpha5 RECEPTOR MODULATORS RICHTER GEDEON NYRT. (HU) 2025-02-13 US disclosed
EP-4408842-A1 BICYCLIC AMINE DERIVATIVES AS GABAA a5 RECEPTOR MODULATORS Richter Gedeon Nyrt. (HU) 2024-08-07 EP disclosed
CN-118284606-A Bicyclic amine derivatives as GABAA α5 receptor modulators 吉瑞工厂 2024-07-02 CN disclosed
US-20240067637-A1 NAPHTHYRIDINE AND PYRIDO[3,4-c]PYRIDAZINE DERIVATIVES AS GABAA ALPHA 5 RECEPTOR MODULATORS RICHTER GEDEON NYRT. (HU) 2024-02-29 US disclosed
US-20240067637-A1 NAPHTHYRIDINE AND PYRIDO[3,4-c]PYRIDAZINE DERIVATIVES AS GABAA ALPHA 5 RECEPTOR MODULATORS RICHTER GEDEON NYRT. (HU) 2024-02-29 US disclosed
US-20240067637-A1 NAPHTHYRIDINE AND PYRIDO[3,4-c]PYRIDAZINE DERIVATIVES AS GABAA ALPHA 5 RECEPTOR MODULATORS RICHTER GEDEON NYRT. (HU) 2024-02-29 US disclosed
US-11840528-B2 Isoxazolyl ether derivatives as GABAA α5 PAM HOFFMANN-LA ROCHE INC. (US) 2023-12-12 US disclosed
WO-2023053015-A1 BICYCLIC AMINE DERIVATIVES AS GABAA α5 RECEPTOR MODULATORS RICHTER GEDEON NYRT. (HU) 2023-04-06 WO disclosed
EP-4126859-A1 NAPHTHYRIDINE AND PYRIDO[3,4-C]PYRIDAZINE DERIVATIVES AS GABAA ALPHA5 RECEPTOR MODULATORS Richter Gedeon Nyrt. (HU) 2023-02-08 EP disclosed
CN-115348962-A As GABA A Naphthyridines and pyrido [3,4-c ] of alpha 5 receptor modulators]Pyridazine derivatives 吉瑞工厂 2022-11-15 CN disclosed
WO-2021191838-A1 NAPHTHYRIDINE AND PYRIDO[3,4-c]PYRIDAZINE DERIVATIVES AS GABAA α5 RECEPTOR MODULATORS RICHTER GEDEON NYRT. (HU) 2021-09-30 WO disclosed
WO-2021191838-A1 NAPHTHYRIDINE AND PYRIDO[3,4-c]PYRIDAZINE DERIVATIVES AS GABAA α5 RECEPTOR MODULATORS RICHTER GEDEON NYRT. (HU) 2021-09-30 WO disclosed
EP-3807269-A1 NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM F. Hoffmann-La Roche AG (CH) 2021-04-21 EP disclosed
US-20210094945-A1 NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM HOFFMANN-LA ROCHE INC. (US) 2021-04-01 US disclosed
CN-112424196-A Novel isoxazolyl ether derivatives as GABAA alpha 5 PAM 豪夫迈·罗氏有限公司 2021-02-26 CN disclosed
WO-2019238633-A1 NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM F. HOFFMANN-LA ROCHE AG (CH) 2019-12-19 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 (5 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-11840528-B2 Isoxazolyl ether derivatives as GABAA α5 PAM GABRA5, GABRA2, GABRB2 GABRA1 4/4885GABRA5 1/4885CASP3 3657/4885
US-20210094945-A1 NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM GABRA5, GABRB2, GABRB1 GABRA1 4/4885GABRA5 1/4885CASP3 2836/4885
US-12637455-B2 Naphthyridine and pyrido[3,4-c]pyridazine derivatives as GABAA α5 receptor modulators GABRA5, GABRA1, GABRB1 GABRA1 2/4885GABRA5 1/4885CASP3 3312/4885
US-20240067637-A1 NAPHTHYRIDINE AND PYRIDO[3,4-c]PYRIDAZINE DERIVATIVES AS GABAA ALPHA 5 RECEPTOR MODULATORS GABRA5, GABRA1, GABRA3 GABRA1 2/4885GABRA5 1/4885CASP3 2279/4885
US-20250051323-A1 BICYCLIC AMINE DERIVATIVES AS GABAA alpha5 RECEPTOR MODULATORS GABRA5, GABRB1, GABRA1 GABRA1 3/4885GABRA5 1/4885CASP3 2594/4885

“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.