SCHEMBL2759522

SCHEMBL2759522

CCc1ccc(OC)c(F)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.51
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MITF O75030 1/20 0.51
CYP17A1 P05093 1/20 0.50
DBH P09172 1/20 0.49
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
LMNA P02545 2/20 0.47
MAPK1 P28482 1/20 0.47
CA2 P00918 1/20 0.47
PTGS2 P35354 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TUBB1 Q9H4B7 1/20 0.46

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
Ammonia Solution, Strong SCHEMBL23291273 0.98 HTT (0.50) HTTALDH1A1KDM4EMITFCYP17A1
SCHEMBL23259189 0.85 KDM4E (0.43) HTTALDH1A1KDM4EMITFLMNA
SCHEMBL14449509 0.85 CYP17A1 (0.65) ALDH1A1CYP17A1RAB9ANPC1SMN1; SMN2
SCHEMBL9921235 0.84 KDM4E (0.52) HTTALDH1A1KDM4EMITFCYP17A1
SCHEMBL2432106 0.83 PTGS2 (0.52) ALDH1A1KDM4EMAPK1CA2PTGS2
SCHEMBL3163046 0.82 CYP17A1 (0.57) ALDH1A1CYP17A1RAB9ANPC1SMN1; SMN2
SCHEMBL11959799 0.82 HTT (0.52) HTTALDH1A1KDM4EMITFCYP17A1
SCHEMBL13461930 0.82 CYP17A1 (0.49) HTTALDH1A1KDM4EMITFCYP17A1
SCHEMBL10061306 0.82 KDM1A (0.50) HTTALDH1A1KDM4EMITFL3MBTL1
SCHEMBL186570 0.82 HTT (0.50) HTTALDH1A1KDM4EMITFCYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3089980-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2018-01-31 EP claimed
US-9670208-B2 Serine/threonine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2017-06-06 US claimed
EP-3089980-A1 SERINE/THREONINE KINASE INHIBITORS Array Biopharma, Inc. (US) 2016-11-09 EP claimed
US-20160304519-A1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-10-20 US claimed
WO-2015103137-A1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2015-07-09 WO claimed
EP-3863638-B1 PHOSPHODIESTERASE INHIBITORS UNIV NEBRASKA (US) 2024-06-26 EP disclosed
EP-3784669-B1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMA (US) 2023-10-25 EP disclosed
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-10-05 US disclosed
US-20230287029-A1 ANTIVIRAL PRODRUGS, PHARMACEUTICAL FORMULATIONS, AND METHODS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-09-14 US disclosed
US-20230287029-A1 ANTIVIRAL PRODRUGS, PHARMACEUTICAL FORMULATIONS, AND METHODS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-09-14 US disclosed
US-11572364-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-02-07 US disclosed
US-20230015617-A1 PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2023-01-19 US disclosed
US-20070099895-A1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-05-03 US disclosed
EP-1219609-B1 AROMATIC NITROGENOUS SIX-MEMBERED RING COMPOUNDS TANABE SEIYAKU CO (JP) 2007-04-04 EP disclosed
US-20070043045-A1 Novel high affinity thiophene-based and furan-based kinase ligands SCHERING CORPORATION 2007-02-22 US disclosed
US-20070043051-A1 Methods and compositions of novel triazine compounds TIMMER RICHARD T 2007-02-22 US disclosed
US-7169785-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-01-30 US disclosed
WO-2006005486-A1 SULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-01-19 WO disclosed
US-20050159469-A1 HIV protease inhibiting compounds ABBVIE INC. 2005-07-21 US disclosed
WO-2004085408-A1 2, 3, 6-TRISUBSTITUTED-4-PYRIMIDONE DERIVATIVES MITSUBISHI PHARMA CORPORATION (JP) 2004-10-07 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 (9 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-11572364-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP HTT 2300/4885ALDH1A1 569/4885KDM4E 730/4885
US-20070043051-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS HTT 805/4885ALDH1A1 4407/4885KDM4E 3314/4885
US-20160304519-A1 SERINE/THREONINE KINASE INHIBITORS TTBK1, MAP3K1, TNNI3K HTT 1832/4885ALDH1A1 3535/4885KDM4E 3670/4885
US-20050159469-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP HTT 4473/4885ALDH1A1 2920/4885KDM4E 3048/4885
US-20070099895-A1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF CYP11B2, CYP11B1, GOT2 HTT 743/4885ALDH1A1 86/4885KDM4E 3362/4885
US-20230015617-A1 PHTHALAZINONE DERIVATIVES NR0B1, NR0B2, NR2E1 HTT 625/4885ALDH1A1 1599/4885KDM4E 3328/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP HTT 2300/4885ALDH1A1 569/4885KDM4E 730/4885
US-20070043045-A1 Novel high affinity thiophene-based and furan-based kinase ligands CDKL2, CDK2, CDKL1 HTT 2605/4885ALDH1A1 4225/4885KDM4E 638/4885
US-20230287029-A1 ANTIVIRAL PRODRUGS, PHARMACEUTICAL FORMULATIONS, AND METHODS MTAP, SARS1, RNGTT HTT 1997/4885ALDH1A1 2865/4885KDM4E 2042/4885

“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.