SCHEMBL317275

SCHEMBL317275

Nc1ccc(NCc2ccc(F)cc2)nc1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.55
KCNQ2 O43526 1/20 0.55
ABCB11 O95342 1/20 0.55
ESR1 P03372 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
HTR1A P08908 1/20 0.55
ADRA2A P08913 1/20 0.55
ADORA3 P0DMS8 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
ALOX15 P16050 1/20 0.55
NFKB1 P19838 1/20 0.55
TBXA2R P21731 1/20 0.55
MAPK1 P28482 1/20 0.55
CASP1 P29466 1/20 0.55
CYP2C19 P33261 1/20 0.55
SHMT2 P34897 1/20 0.55
PTGS2 P35354 1/20 0.55
OPRK1 P41145 1/20 0.55

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
SCHEMBL16625705 0.84 HSD17B10 (0.60) KCNQ3KCNQ2ABCB11ESR1CYP1A2
SCHEMBL9795647 0.83 MAP4K4 (0.57) ALDH1A1HPGDMEN1KMT2AL3MBTL1
SCHEMBL8046357 0.81 HSD17B10 (0.48) KCNQ3KCNQ2ABCB11ESR1CYP1A2
SCHEMBL938904 0.80 HSD17B10 (0.50) KCNQ3KCNQ2ABCB11ESR1CYP1A2
SCHEMBL15669248 0.78 HTT (0.50) KCNQ3KCNQ2ABCB11ESR1CYP1A2
SCHEMBL963638 0.78 KCNQ3 (0.48) KCNQ3KCNQ2ABCB11ESR1CYP1A2
SCHEMBL954172 0.78 MAPK1 (0.51) KCNQ3KCNQ2ABCB11ESR1CYP1A2
SCHEMBL9952486 0.78 KCNQ3 (0.70) KCNQ3KCNQ2ABCB11ESR1CYP1A2
SCHEMBL12505604 0.78 KCNQ3 (0.74) KCNQ3KCNQ2ABCB11ESR1CYP1A2
SCHEMBL317861 0.78 HTT (0.53) KCNQ3KCNQ2ABCB11ESR1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2435408-B1 METHOD FOR PRODUCING FLUPIRTINE CORDEN PHARMA INTERNAT GMBH (DE) 2015-01-07 EP claimed
WO-2014068459-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PAIN AND NEUROLOGICAL DISEASES KANDULA MAHESH (IN) 2014-05-08 WO claimed
WO-2012004391-A1 PROCESS FOR THE PREPARATION OF FLUPIRTINE MALEATE K.H.S. PHARMA HOLDING GMBH (DE) 2012-01-12 WO claimed
WO-2010136113-A1 METHOD FOR PRODUCING FLUPIRTINE CORDEN PHARMACHEM GMBH (DE) 2010-12-02 WO claimed
CN-109053563-B Method for preparing flupirtine hydrochloride 四川青木制药有限公司 2022-03-29 CN disclosed
US-10494404-B2 Quinolinium conjugates of cyclosporin UCL BUSINESS PLC (GB) 2019-12-03 US disclosed
CN-109053563-A A method of preparing hydrochloric acid Flupirtine 四川青木制药有限公司 2018-12-21 CN disclosed
US-20170349632-A1 QUINOLIUM CONJUGATES OF CYCLOSPORIN UCL BUSINESS PLC (GB) 2017-12-07 US disclosed
US-9315461-B2 Compositions and methods for the treatment of neurologic diseases CELLIX BIO PRIVATE LIMITED (IN) 2016-04-19 US disclosed
US-9315461-B2 Compositions and methods for the treatment of neurologic diseases CELLIX BIO PRIVATE LIMITED (IN) 2016-04-19 US disclosed
WO-2016027089-A1 QUINOLIUM CONJUGATES OF CYCLOSPORIN UCL BUSINESS PLC (GB) 2016-02-25 WO disclosed
US-20150152057-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF NEUROLOGIC DISEASES CELLIX BIO PRIVATE LIMITED (IN) 2015-06-04 US disclosed
CN-102241626-A Synthesis process of flupirtine maleate BEIJING HRDX MEDICINAL TECHNOLOGIES CO LTD 2011-11-16 CN disclosed
WO-2010136113-A1 METHOD FOR PRODUCING FLUPIRTINE CORDEN PHARMACHEM GMBH (DE) 2010-12-02 WO disclosed
WO-2010136113-A1 METHOD FOR PRODUCING FLUPIRTINE CORDEN PHARMACHEM GMBH (DE) 2010-12-02 WO disclosed
WO-2008110357-A1 METHOD FOR PREPARING A FLUPIRTINE MALEATE OF A CRYSTAL MODIFICATION B ELBION GMBH (DE) 2008-09-18 WO disclosed
EP-0977736-B1 PROCESS FOR PREPARING PURE FLUPIRTIN MALEATE AND ITS MODIFICATION A AWD PHARMA GMBH & CO KG (DE) 2003-09-24 EP disclosed
EP-0977736-A1 PROCESS FOR PREPARING PURE FLUPIRTIN MALEATE AND ITS MODIFICATION A ASTA Medica Aktiengesellschaft (DE) 2000-02-09 EP disclosed
US-5959115-A MULTISTAGE REACTION OF CATALYTIC HYDROGENATION, ACYLATION AND SALT FORMATION ASTA MEDICA AKTIENGESELLSCHAFT (DE) 1999-09-28 US disclosed
WO-1998047872-A1 PROCESS FOR PREPARING PURE FLUPIRTIN MALEATE AND ITS MODIFICATION A ASTA MEDICA AKTIENGESELLSCHAFT (DE) 1998-10-29 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 (3 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-10494404-B2 Quinolinium conjugates of cyclosporin SQOR, SHMT2, CS KCNQ3 1288/4885KCNQ2 826/4885ABCB11 222/4885
US-20170349632-A1 QUINOLIUM CONJUGATES OF CYCLOSPORIN SHMT2, CS, SQOR KCNQ3 3763/4885KCNQ2 3409/4885ABCB11 317/4885
US-20150152057-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF NEUROLOGIC DISEASES MAPT, TARDBP, SLC6A11 KCNQ3 238/4885KCNQ2 206/4885ABCB11 317/4885

“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.