SCHEMBL490963

SCHEMBL490963

C1=COC(c2ccccc2)O1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 5/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TSHR P16473 1/20 0.42
LMNA P02545 3/20 0.38
POLB P06746 1/20 0.38
MAOB P27338 8/20 0.35
MAOA P21397 7/20 0.35
KDM1A O60341 5/20 0.35
CYP2B6 P20813 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
TAAR1 Q96RJ0 2/20 0.35
CYP3A4 P08684 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
CYP2A6 P11509 1/20 0.35
SLC6A2 P23975 1/20 0.35
HTR2C P28335 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
SCHEMBL7168733 0.82 CYP2C19 (0.46) CYP2C19MEN1KMT2ATSHRLMNA
SCHEMBL65759 0.75
SCHEMBL11380274 0.71 CYP2C19 (0.47) CYP2C19MEN1KMT2ATSHRHTR1A
SCHEMBL723465 0.71 ACHE (0.46) MEN1KMT2ATSHRLMNAHTR2C
SCHEMBL3124390 0.71 TAAR1 (0.42) MAOBMAOAKDM1ATAAR1HTR2C
SCHEMBL921104 0.71 ALDH1A1 (0.46) CYP2C19MEN1KMT2ATSHRLMNA
SCHEMBL7833417 0.71 CYP3A4 (0.46) MEN1KMT2ATSHRLMNAMAOB
SCHEMBL264648 0.71 KDM1A (0.47) MEN1KMT2ATSHRPOLBKDM1A
SCHEMBL9306223 0.71 TSHR (0.52) MEN1KMT2ATSHRPOLB
SCHEMBL2469369 0.71 TAAR1 (0.42) MEN1KMT2ATSHRKDM1ATAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3310771-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 Novartis AG (CH) 2018-04-25 EP claimed
EP-2142546-B1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS SANIONA AS (DK) 2017-06-07 EP claimed
WO-2016203405-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2016-12-22 WO claimed
EP-2426125-B1 1,4 disubstituted 3 cyano pyridone derivatives and their use as positive allosteric modulators of mGluR2 receptors JANSSEN PHARMACEUTICALS INC (US) 2015-12-02 EP claimed
US-8969568-B2 Substituted naphthyridines and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2015-03-03 US claimed
US-8399435-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2013-03-19 US claimed
US-8124616-B2 Bicyclic PPAT inhibitors as antibacterial agents BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2012-02-28 US claimed
US-20110237583-A1 2, 5-DIAMINO-SUBSTITUTED PYRIDO [4, 3-D] PYRIMIDINES AS AUTOTAXIN INHIBITORS AGAINST CANCER MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG 2011-09-29 US claimed
US-20080161312-A1 Derivatives of Pyrrolo-Pyrazines Having a Kinase Inhibitory Activity and Their Biological Applications CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2008-07-03 US claimed
WO-2005047290-A2 IMIDAZO[1,2-A] PYRAZIN-8-YLAMINES AS KINASE INHIBITORS CELLULAR GENOMICS INC. (US) 2005-05-26 WO claimed
EP-1527077-A2 PYRROLOPYRAZINES AS KINASE INHIBITORS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2005-05-04 EP claimed
WO-2004016614-A2 PYRROLOPYRAZINES AS KINASE INHIBITORS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2004-02-26 WO claimed
EP-1388541-A1 Pyrrolopyrazines as kinase inhibitors CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2004-02-11 EP claimed
EP-1077947-A1 NOVEL 1,5 AND 3-O-SUBSTITUTED 1H-INDAZOLES WITH ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY, IMMUNO-MODULATING AND NEURO-PROTECTIVE EFFECT, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS ARZNEIMITTELWERK DRESDEN GMBH (DE) 2001-02-28 EP claimed
WO-1999058504-A9 NOVEL 1,2,5-TRISUBSTITUTED 1,2-DIHYDRO-INDAZOL-3-ONES WITH ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY, IMMUNO-MODULATING AND NEURO-PROTECTIVE EFFECT, METHOD FOR THE PRODUCTION AND USE THEREOF AS A MEDICAMENT DRESDEN ARZNEIMITTEL (DE) 2000-02-03 WO claimed
WO-1999058503-A1 NOVEL 1,5 AND 3-O-SUBSTITUTED 1H-INDAZOLES WITH ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY, IMMUNO-MODULATING AND NEURO-PROTECTIVE EFFECT, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS ARZNEIMITTELWERK DRESDEN GMBH (DE) 1999-11-18 WO claimed
JP-9194369-A None JP disclosed
EP-4313963-A1 PHENYL- [1, 3] DIOXOLO [4, 5-C] PYRIDINYL-PHENYL-, PHENYL- [1, 3] DIOXOLO [4, 5-C] PYRIDINYL-HETEROARYL-, OR PHENYL- [1, 3] DIOXOLO [4, 5-C] PYRIDINYL-PIPERIDINYL-METHYL-OXETANYLMETHYL-1H-BENZO [D] IMIDAZOLE-CARBOXYLIC ACID DERIVATIVES AND METHODS OF USING SAME Eccogene Inc. (US) 2024-02-07 EP disclosed
JP-H09194369-A CELL DIFFERENTIATION INDUCER POLA CHEM IND INC 1997-07-29 JP disclosed
EP-0042963-A1 Pesticidal compositions containing tetrahydrofuran-2-one derivatives, their preparation and their use BAYER AG (DE) 1982-01-06 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 (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-20080161312-A1 Derivatives of Pyrrolo-Pyrazines Having a Kinase Inhibitory Activity and Their Biological Applications CDK2, PLK2, CDK5 CYP2C19 3945/4885MEN1 4580/4885KMT2A 1286/4885
US-20110237583-A1 2, 5-DIAMINO-SUBSTITUTED PYRIDO [4, 3-D] PYRIMIDINES AS AUTOTAXIN INHIBITORS AGAINST CANCER ENPP2, PLA2G4A, PLA2G4B CYP2C19 4397/4885MEN1 1279/4885KMT2A 1198/4885

“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.