SCHEMBL2091671

SCHEMBL2091671

Cc1ccc(N(C)[C]=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
TSHR P16473 2/20 0.52
MAPT P10636 2/20 0.43
MCOLN3 Q8TDD5 1/20 0.43
TDP1 Q9NUW8 2/20 0.40
ACHE P22303 1/20 0.40
C5AR1 P21730 1/20 0.36
LMNA P02545 2/20 0.36
MAPK1 P28482 1/20 0.36
GFER P55789 1/20 0.36
MCL1 Q07820 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CHRNA7 P36544 1/20 0.36
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL5182072 0.89 ALDH1A1 (0.42) ALDH1A1TSHRMAPTMCOLN3TDP1
SCHEMBL2090723 0.78 CYP2A6 (0.38) ALDH1A1TSHRMAPTTDP1LMNA
SCHEMBL2099515 0.78 APP (0.43) ALDH1A1TSHRALOX15HSD17B10CES1
SCHEMBL7826817 0.78 APP (0.43) ALDH1A1MAPTTDP1ACHELMNA
SCHEMBL2096895 0.78 APP (0.43) ALDH1A1TSHRMAPTACHERAB9A
SCHEMBL2096457 0.78 ALDH1A1 (0.45) ALDH1A1TSHRMAPTTDP1LMNA
SCHEMBL2140337 0.77 ALDH1A1 (0.48) ALDH1A1TSHRMAPTMCOLN3TDP1
SCHEMBL209159 0.77 KMT2A (0.48) ALDH1A1TSHRLMNARAB9ACA12
SCHEMBL13159013 0.75 ALDH1A1 (0.52) ALDH1A1TSHRMAPTMCOLN3TDP1
SCHEMBL11823858 0.75 ALDH1A1 (0.52) ALDH1A1TSHRMAPTMCOLN3TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7037931-B2 Corticotropin releasing factor moderator; analgesics; drug abruse, drug dependency; schizophrenia JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-02 US claimed
JP-2006501194-A 2006-01-12 JP claimed
EP-1525190-A1 CCK-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-04-27 EP claimed
WO-2004007463-A1 CCK-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2004-01-22 WO claimed
EP-3452465-B1 SUBSTITUTED 2, 4-DIAMINO-QUINOLINE DERIVATIVES FOR USE IN THE TREATMENT OF PROLIFERATIVE DISEASES GENOSCIENCE PHARMA (FR) 2020-11-04 EP disclosed
US-10577362-B2 Substituted 2, 4-diamino-quinoline derivatives for use in the treatment of proliferative diseases GENOSCIENCE PHARMA (FR) 2020-03-03 US disclosed
US-20190144437-A1 SUBSTITUTED 2, 4-DIAMINO-QUINOLINE DERIVATIVES FOR USE IN THE TREATMENT OF PROLIFERATIVE DISEASES GENOSCIENCE PHARMA (FR) 2019-05-16 US disclosed
EP-3452465-A1 SUBSTITUTED 2, 4-DIAMINO-QUINOLINE DERIVATIVES FOR USE IN THE TREATMENT OF PROLIFERATIVE DISEASES Genoscience Pharma SAS (FR) 2019-03-13 EP disclosed
EP-3071560-B1 N-ACYLIMINO HETEROCYCLIC COMPOUNDS BASF SE (DE) 2018-01-10 EP disclosed
WO-2017191599-A1 SUBSTITUTED 2, 4-DIAMINO-QUINOLINE DERIVATIVES FOR USE IN THE TREATMENT OF PROLIFERATIVE DISEASES GENOSCIENCE PHARMA (FR) 2017-11-09 WO disclosed
US-9783523-B2 N-acylimino heterocyclic compounds BASF SE (DE) 2017-10-10 US disclosed
EP-3129370-A1 DIHYDROTHIAZINE AND DIHYDROOXAZINE DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY Shionogi & Co., Ltd. (JP) 2017-02-15 EP disclosed
WO-1991011448-A1 THERAPEUTIC AGENTS THE BOOTS COMPANY PLC (GB) 1991-08-08 WO disclosed
EP-0409840-A1 BENZOTRIAZOLE AND OXANILIDE UV ABSORBER HYDRAZIDES ELF ATOCHEM NORTH AMERICA, INC. (US) 1991-01-30 EP disclosed
US-4980420-A Benzotriazole and oxanilide UV absorber hydrazides ATOCHEM NORTH AMERICA, INC. (US) 1990-12-25 US disclosed
WO-1990009369-A1 BENZOTRIAZOLE AND OXANILIDE UV ABSORBER HYDRAZIDES ATOCHEM NORTH AMERICA, INC. (US) 1990-08-23 WO disclosed
US-4616014-A HYPOTENSIVE AGENTS, ANTICOAGULANTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-10-07 US disclosed
EP-0077983-A1 Triazine derivatives, processes for preparation thereof and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-05-04 EP disclosed
US-4195999-A Silver halide photographic material containing ultraviolet light absorbing agent FUJI PHOTO FILM CO., LTD. (JP) 1980-04-01 US disclosed
US-4163671-A PYRROLIDINE OR THIAZOLIDINE DERIVATIVE FUJI PHOTO FILM CO., LTD. (JP) 1979-08-07 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-20190144437-A1 SUBSTITUTED 2, 4-DIAMINO-QUINOLINE DERIVATIVES FOR USE IN THE TREATMENT OF PROLIFERATIVE DISEASES NQO2, RECQL, CCNO ALDH1A1 334/4885TSHR 3904/4885MAPT 3363/4885
US-10577362-B2 Substituted 2, 4-diamino-quinoline derivatives for use in the treatment of proliferative diseases NQO2, RECQL, CCNO ALDH1A1 334/4885TSHR 3904/4885MAPT 3363/4885

“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.