SCHEMBL790633

SCHEMBL790633

O=c1[nH]c2[c]cccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.42
CA12 O43570 2/20 0.42
PARP1 P09874 2/20 0.42
CA9 Q16790 2/20 0.42
PDE3B Q13370 2/20 0.40
PDE3A Q14432 2/20 0.40
ALDH1A1 P00352 3/20 0.37
GAA P10253 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
PLA2G10 O15496 1/20 0.37
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
LMNA P02545 2/20 0.32
GLA P06280 1/20 0.32

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
SCHEMBL6313741 0.83 GRIN2D (0.52) KDM4ECA12PARP1CA9ALDH1A1
SCHEMBL16110565 0.75 PARP1 (0.48) KDM4ECA12PARP1CA9ALDH1A1
SCHEMBL38236 0.75 KDM4E (0.48) KDM4ECA12PARP1CA9PDE3B
SCHEMBL37951 0.70 KDM4E (0.67) KDM4ECA12PARP1CA9PDE3B
SCHEMBL4558727 0.70 KDM4E (0.67) KDM4ECA12PARP1CA9PDE3B
SCHEMBL29367508 0.70 KDM4E (0.67) KDM4ECA12PARP1CA9PDE3B
SCHEMBL15009544 0.68 ALDH1A1 (0.61) KDM4ECA12PARP1CA9ALDH1A1
Hydrochloric Acid SCHEMBL30275219 0.68 KDM4E (0.63) KDM4ECA12PARP1CA9PDE3B
Hydrochloric Acid SCHEMBL30832797 0.68 KDM4E (0.63) KDM4ECA12PARP1CA9PDE3B
Hydrochloric Acid SCHEMBL4647780 0.68 KDM4E (0.63) KDM4ECA12PARP1CA9PDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2501236-B1 N-[2-fluoro-3-(4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-phenyl]-4-benzenesulfonamide derivatives as Raf protein kinase modulators for the treatment of cancer PLEXXIKON INC (US) 2017-03-29 EP claimed
WO-2016003296-A1 (QUINOLINE OR ISOQUINOLINE)SULFONAMIDES OF CYCLIC AMINES AS ANTIPSYCHOTIC DRUGS INSTYTUT FARMAKOLOGII POLSKIEJ AKADEMII NAUK (PL) 2016-01-07 WO claimed
US-8673928-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2014-03-18 US claimed
EP-2501236-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Plexxikon, Inc. (US) 2012-09-26 EP claimed
US-20110152258-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor PLEXXIKON INC. 2011-06-23 US claimed
WO-2011063159-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-05-26 WO claimed
EP-0007605-B1 A PROCESS FOR INVERTING THE CONFIGURATION IN OPTICALLY ACTIVE COMPOUNDS AND OPTICALLY ACTIVE INTERMEDIATE COMPOUNDS AND THEIR SALTS REQUIRED THEREFOR CIBA-GEIGY AG (CH) 1982-09-15 EP claimed
US-4294966-A SALT FORMATION CIBA-GEIGY CORPORATION (US) 1981-10-13 US claimed
EP-0007605-A1 A process for inverting the configuration in optically active compounds and optically active intermediate compounds and their salts required therefor CIBA-GEIGY AG (CH) 1980-02-06 EP claimed
CN-108026067-B 6-amino-quinoline-3-carbonitriles as COT modulators 吉利德科学公司 2021-01-12 CN disclosed
EP-3319955-B1 6-AMINO-QUINOLINE-3-CARBONITRILS AS COT MODULATORS GILEAD SCIENCES INC (US) 2020-11-25 EP disclosed
US-10703762-B2 Compound, material for organic electroluminescence device, organic electroluminescence device and electronic apparatus IDEMITSU KOSAN CO., LTD. (JP) 2020-07-07 US disclosed
US-20190194219-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS EQUIPPED WITH SAME IDEMITSU KOSAN CO., LTD. (JP) 2019-06-27 US disclosed
US-10316017-B2 COT modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2019-06-11 US disclosed
US-4497813-A ANTIARRHYTHMIA AGENTS, HYPOTENSIVE AGENTS, ANTIDEPRESSANTS CIBA-GEIGY CORPORATION (US) 1985-02-05 US disclosed
EP-0015505-B1 3-AMINO-1,2-PROPANE DIOLS, PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND USE THEREOF CIBA-GEIGY AG (CH) 1984-08-08 EP disclosed
US-4391980-A FOR INVERSION OF CONFIGURATION OF OPTICALLY ACTIVE COMPOUNDS CIBA-GEIGY CORPORATION (US) 1983-07-05 US disclosed
EP-0007605-B1 A PROCESS FOR INVERTING THE CONFIGURATION IN OPTICALLY ACTIVE COMPOUNDS AND OPTICALLY ACTIVE INTERMEDIATE COMPOUNDS AND THEIR SALTS REQUIRED THEREFOR CIBA-GEIGY AG (CH) 1982-09-15 EP disclosed
US-4294966-A SALT FORMATION CIBA-GEIGY CORPORATION (US) 1981-10-13 US disclosed
EP-0007605-A1 A process for inverting the configuration in optically active compounds and optically active intermediate compounds and their salts required therefor CIBA-GEIGY AG (CH) 1980-02-06 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 (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-10316017-B2 COT modulators and methods of use thereof BRDT, THRB, HCCS KDM4E 1288/4885CA12 259/4885PARP1 1381/4885
US-20110152258-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor BRAF, KRAS, RAF1 KDM4E 3637/4885CA12 2004/4885PARP1 2220/4885
US-20190194219-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS EQUIPPED WITH SAME OR10J3, EML4, AOC2 KDM4E 2872/4885CA12 1515/4885PARP1 2976/4885
US-10703762-B2 Compound, material for organic electroluminescence device, organic electroluminescence device and electronic apparatus PIEZO1, OR10J3, EPCAM KDM4E 3529/4885CA12 2495/4885PARP1 1329/4885

“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.