SCHEMBL6645686

SCHEMBL6645686

c1csc(Cc2ccncc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 3/20 0.56
CYP11B1 P15538 3/20 0.56
CYP11B2 P19099 3/20 0.56
ADRA1D P25100 2/20 0.50
HPGD P15428 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 2/20 0.44
POLB P06746 2/20 0.44
HTT P42858 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
MAPT P10636 1/20 0.44
RECQL P46063 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TAAR1 Q96RJ0 1/20 0.43
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42

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
SCHEMBL45228 0.82 LMNA (0.50) ADRA1DHPGDCYP2C9CYP2C19ALDH1A1
SCHEMBL2886837 0.81 TAAR1 (0.52) CYP17A1CYP11B1CYP11B2ADRA1DCYP3A4
SCHEMBL8306418 0.80 ADRA1D (0.49) ADRA1DCYP3A4CYP1A2CYP2D6CYP2C9
Ammonia Solution, Strong SCHEMBL27757668 0.80 LMNA (0.49) ADRA1DHPGDCYP2C9CYP2C19ALDH1A1
SCHEMBL9825918 0.80 LMNA (0.49) ADRA1DHPGDCYP2C9CYP2C19ALDH1A1
Methane SCHEMBL11161392 0.80 LMNA (0.49) ADRA1DHPGDCYP2C9CYP2C19ALDH1A1
SCHEMBL24769737 0.79 ADRA1D (0.51) CYP17A1CYP11B1CYP11B2ADRA1DCYP3A4
SCHEMBL559559 0.78 TAAR1 (0.56) ADRA1DHPGDCYP2C9CYP2C19ALDH1A1
SCHEMBL2882542 0.78 TAAR1 (0.53) CYP17A1CYP11B1CYP11B2TAAR1ADRA2A
SCHEMBL2885846 0.78 TAAR1 (0.53) CYP17A1CYP11B1CYP11B2TAAR1ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023081859-A1 TRIAZINE AMINO DERIVATIVES FOR TREATING SCA3 SKYHAWK THERAPEUTICS, INC. (US) 2023-05-11 WO disclosed
EP-3004099-B1 TETRAHYDROPYRIDINE DERIVATIVES AS FABI INHIBITORS AURIGENE ONCOLOGY LTD (IN) 2023-04-19 EP disclosed
CN-103709096-B Urea type derivative used as nicotinamide ribose phosphate transferase inhibitor, as well as preparation method and application thereof 中国人民解放军第二军医大学 2017-01-18 CN disclosed
EP-3004099-A1 TETRAHYDROPYRIDINE DERIVATIVES AS FabI INHIBITORS Aurigene Discovery Technologies Limited (IN) 2016-04-13 EP disclosed
US-9062002-B2 Substituted pyridine derivatives as FabI inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-06-23 US disclosed
US-9062075-B2 Tetrahydropyridine derivatives as FabI inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-06-23 US disclosed
US-9062002-B2 Substituted pyridine derivatives as FabI inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-06-23 US disclosed
US-9062002-B2 Substituted pyridine derivatives as FabI inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-06-23 US disclosed
WO-2014195844-A1 TETRAHYDROPYRIDINE DERIVATIVES AS FabI INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2014-12-11 WO disclosed
US-20140336153-A1 SUBSTITUTED PYRIDINE DERIVATIVES AS FABI INHIBITORS AURIGENE DISCOVERY TECH LTD (IN) 2014-11-13 US disclosed
CN-103709096-A Urea type derivative used as nicotinamide ribose phosphate transferase inhibitor, as well as preparation method and application thereof UNIV PLA 2ND MILITARY MEDICAL 2014-04-09 CN disclosed
WO-2013080222-A1 SUBSTITUTED PYRIDINE DERIVATIVES AS FABI INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2013-06-06 WO disclosed
EP-1025102-B1 BICYCLIC KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2004-05-19 EP disclosed
US-6630485-B2 For therapy of inflammatory disease SYNTEX (U.S.A.) LLC 2003-10-07 US disclosed
US-20030139462-A1 p38 MAP kinase inhibitors CHENG SOAN (US) 2003-07-24 US disclosed
US-6479507-B2 MODULATION OF THESE INFLAMMATORY CYTOKINES IS CONSIDERED ONE OF THE MOST EFFECTIVE STRATEGIES TO BLOCK CHRONIC INFLAMMATION AND HAVE POSITIVE THERAPEUTIC OUTCOMES SYNTEX (U.S.A.) LLC 2002-11-12 US disclosed
US-20020013354-A1 p38 map kinase inhibitors CHENG SOAN (US) 2002-01-31 US disclosed
US-20010044538-A1 p38 MAP kinase inhibitors CHENG SOAN (US) 2001-11-22 US disclosed
US-6316464-B1 P38 MAP kinase inhibitors SYNTEX (U.S.A.) LLC 2001-11-13 US disclosed
US-4866180-A MITOMYCIN ANALOGS; ANTITUMOR AGENTS BRISTOL-MYERS COMPANY (US) 1989-09-12 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 (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-20140336153-A1 SUBSTITUTED PYRIDINE DERIVATIVES AS FABI INHIBITORS F12, FAR1, NQO2 CYP17A1 2696/4885CYP11B1 2074/4885CYP11B2 2453/4885
US-20020013354-A1 p38 map kinase inhibitors MAPK1, MAPK8, MAP3K1 CYP17A1 939/4885CYP11B1 155/4885CYP11B2 219/4885
US-20030139462-A1 p38 MAP kinase inhibitors MAPK1, MAPK8, MAP3K1 CYP17A1 939/4885CYP11B1 155/4885CYP11B2 219/4885
US-20010044538-A1 p38 MAP kinase inhibitors MAPK1, MAPK8, MAP3K1 CYP17A1 939/4885CYP11B1 155/4885CYP11B2 219/4885

“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.