SCHEMBL522061

SCHEMBL522061

c1ccc(NCc2ccncc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 1/20 0.68
LTA4H P09960 1/20 0.63
F2 P00734 3/20 0.60
PRSS1 P07477 1/20 0.57
ADRA2C P18825 1/20 0.56
HTT P42858 2/20 0.56
CA9 Q16790 1/20 0.56
ROCK2 O75116 1/20 0.54
GRK2 P25098 1/20 0.54
MEN1 O00255 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
KMT2A Q03164 1/20 0.53
MAPKAPK2 P49137 1/20 0.53
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52

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
SCHEMBL2126955 0.91 F2 (0.70) KCNH3LTA4HF2PRSS1ADRA2C
Hydrochloric Acid SCHEMBL7422969 0.89 F2 (0.68) KCNH3LTA4HF2PRSS1ADRA2C
Hydrochloric Acid SCHEMBL27679067 0.89 F2 (0.68) KCNH3LTA4HF2PRSS1ADRA2C
SCHEMBL19242049 0.89 KDM4E (0.61) KCNH3F2PRSS1ADRA2CHTT
SCHEMBL19241691 0.89 F2 (0.56) KCNH3LTA4HF2PRSS1ADRA2C
SCHEMBL19242051 0.84 F2 (0.61) KCNH3LTA4HF2PRSS1HTT
N-Benzylaniline SCHEMBL7840 0.84 HTT (0.71) KCNH3LTA4HHTTCA9MEN1
SCHEMBL22628164 0.84 HTT (0.71) KCNH3LTA4HHTTCA9MEN1
SCHEMBL2065031 0.84 CYP1A2 (0.69) LTA4HHTTCA9MEN1CYP1A2
SCHEMBL19241983 0.83 KDM4E (0.56) KCNH3F2ADRA2CHTTROCK2

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3470407-B1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 FIRMENICH INCORPORATED (US) 2024-01-24 EP disclosed
WO-2023081967-A1 COMPOUNDS AND USES THEREFOR THE UNIVERSITY OF WESTERN AUSTRALIA (AU) 2023-05-19 WO disclosed
EP-3218350-B1 PROCESS FOR FORMING AMINE BY DIRECT AMINATION REACTION RHODIA OPERATIONS (FR) 2022-01-05 EP disclosed
US-10953007-B2 Compounds useful as modulators of TRPM8 FIRMENICH INCORPORATED (US) 2021-03-23 US disclosed
EP-3470407-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 Senomyx, Inc. (US) 2019-04-17 EP disclosed
US-10207980-B2 Process for forming amine by direct amination reaction RHODIA OPERATIONS (FR) 2019-02-19 US disclosed
EP-2635572-B1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 SENOMYX INC (US) 2018-10-17 EP disclosed
US-20180289704-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 FIRMENICH INCORPORATED 2018-10-11 US disclosed
US-10016418-B2 Compounds useful as modulators of TRPM8 Seaomyx, Inc. (US) 2018-07-10 US disclosed
US-20170320811-A1 PROCESS FOR FORMING AMINE BY DIRECT AMINATION REACTION RHODIA OPERATIONS (FR) 2017-11-09 US disclosed
WO-2002036119-A1 Δ2,-1,2,3-TRIAZOLINE ANTICONVULSANTS AND THEIR ACTIVE METABOLITE ANALOGUES, THE AMINOALKYLPYRIDINES, ARE EXCITATORY AMINO ACID ANTAGONISTS AND ANTIISCHEMIC AGENTS, USEFUL IN THE TREATMENT OF CEREBRAL ISCHEMIA RESULTING FROM STROKE K AND K BIOSCIENCES, INC. (US) 2002-05-10 WO disclosed
EP-1087937-A1 CYCLIC HYDROXAMIC ACIDS AS METALLOPROTEINASE INHIBITORS Du Pont Pharmaceuticals Company (US) 2001-04-04 EP disclosed
US-6207667-B1 USEFUL FOR THE TREATMENT OF CELL-PROLIFERATIVE DISEASES SUCH AS ARTERIOSCLEROSIS, VASCULAR REOBSTRUCTION, CANCER AND GLOMERULOSCLEROSIS KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-03-27 US disclosed
US-6169088-B1 FOR THE PREVENTION OR TREATMENT OF CELL-PROLIFERATIVE DISEASES SUCH AS ARTERIOSCLEROSIS, VASCULAR REOBSTRUCTION, CANCER AND GLOMERULOSCLEROSIS KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-01-02 US disclosed
WO-1999065867-A1 CYCLIC HYDROXAMIC ACIDS AS METALLOPROTEINASE INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1999-12-23 WO disclosed
EP-0882717-A1 NITROGENOUS HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO KABUSHIKI KAISHA (JP) 1998-12-09 EP disclosed
CN-1114311-A Process for preparing 4-pyridylmethyl amine derivatives DALIAN CHEMICAL PHYSICS INST (CN) 1996-01-03 CN disclosed
EP-0189678-B1 ELECTROCHEMICAL REDUCTIONS OF PYRIDINE CARBOXAMIDE BASES REILLY INDUSTRIES, INC. (US) 1991-11-06 EP disclosed
US-4695352-A Electrochemical reduction of pyridine carboxamide bases REILLY TAR & CHEMICAL CORPORATION (US) 1987-09-22 US disclosed
EP-0189678-A1 Electrochemical reductions of pyridine carboxamide bases REILLY INDUSTRIES, INC. (US) 1986-08-06 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 (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-10953007-B2 Compounds useful as modulators of TRPM8 TRPM8, TRPM7, TRPM6 KCNH3 153/4885LTA4H 1654/4885F2 3819/4885
US-10016418-B2 Compounds useful as modulators of TRPM8 TRPM8, TRPM7, TRPM6 KCNH3 153/4885LTA4H 1654/4885F2 3819/4885
US-10207980-B2 Process for forming amine by direct amination reaction ADH5, ADH1A, ADH1C KCNH3 924/4885LTA4H 2635/4885F2 604/4885
US-20180289704-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 TRPM8, TRPM7, TRPM6 KCNH3 153/4885LTA4H 1654/4885F2 3819/4885
US-20170320811-A1 PROCESS FOR FORMING AMINE BY DIRECT AMINATION REACTION ADH5, ADH1A, ADH1C KCNH3 924/4885LTA4H 2635/4885F2 604/4885

“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.