SCHEMBL8574154

SCHEMBL8574154

CC1O[C@@]1(Cn1cncn1)c1ccc(F)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 11/20 0.44
CYP2C9 P11712 8/20 0.44
CYP2C19 P33261 6/20 0.44
CYP19A1 P11511 5/20 0.44
CYP11B1 P15538 2/20 0.44
CYP11B2 P19099 2/20 0.44
LMNA P02545 2/20 0.44
HSP90AA1 P07900 2/20 0.44
ADRA1A P35348 1/20 0.44
CYP51A1 Q16850 1/20 0.44
THRB P10828 1/20 0.40
CYP1A2 P05177 3/20 0.38
CYP2D6 P10635 2/20 0.38
ABCB11 O95342 1/20 0.38
CYP17A1 P05093 1/20 0.38
PTGS2 P35354 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
CYP8B1 Q9UNU6 1/20 0.38
MAPK1 P28482 2/20 0.37
CYP2B6 P20813 1/20 0.37

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
SCHEMBL31454781 1.00 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19CYP19A1CYP11B1
SCHEMBL3949948 1.00 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19CYP19A1CYP11B1
SCHEMBL3264782 1.00 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19CYP19A1CYP11B1
SCHEMBL8812022 1.00 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19CYP19A1CYP11B1
SCHEMBL300482 1.00 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19CYP19A1CYP11B1
SCHEMBL2346412 1.00 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19CYP19A1CYP11B1
SCHEMBL17777817 1.00 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19CYP19A1CYP11B1
SCHEMBL7989762 1.00 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19CYP19A1CYP11B1
SCHEMBL3955770 1.00 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19CYP19A1CYP11B1
SCHEMBL29858099 1.00 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19CYP19A1CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3628668-B1 PRODUCTION AND PURIFICATION METHODS FOR EFINACONAZOLE KAKEN PHARMA CO LTD (JP) 2023-02-22 EP disclosed
US-10829475-B2 Production and purification methods for efinaconazole KAKEN PHARMACEUTICAL CO., LTD. (JP) 2020-11-10 US disclosed
US-20200181110-A1 PRODUCTION AND PURIFICATION METHODS FOR EFINACONAZOLE KAKEN PHARMA CO LTD (JP) 2020-06-11 US disclosed
US-10626115-B2 Fused pyrimidinone and triazinone derivatives containing bridged nitrogen, their process of preparation and their therapeutic uses as antifungal and/or antiparasitic agents UNIVERSITE DE NANTES (FR) 2020-04-21 US disclosed
EP-3442957-B1 \"PROCESS FOR PREPARING INTERMEDIATES USEFUL IN THE SYNTHESIS OF ANTIFUNGAL DRUGS\ OLON SPA (IT) 2020-01-29 EP disclosed
US-10479776-B2 Process for the preparation of Efinaconazole LUPIN LIMITED (IN) 2019-11-19 US disclosed
US-20190292166-A1 PRODUCTION AND PURIFICATION METHODS FOR EFINACONAZOLE KAKEN PHARMACEUTICAL CO., LTD. (JP) 2019-09-26 US disclosed
US-20190002467-A1 NOVEL FUSED PYRIMIDINONE AND TRIAZINONE DERIVATIVES CONTAINING BRIDGED NITROGEN, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTIC USES AS ANTIFUNGAL AND/OR ANTIPARASITIC AGENTS UNIVERSITE DE NANTES (FR) 2019-01-03 US disclosed
US-20180162833-A1 PROCESS FOR THE PREPARATION OF EFINACONAZOLE GLENMARK LIFE SCIENCES LIMITED (IN) 2018-06-14 US disclosed
US-20180118714-A1 PROCESS FOR THE PREPARATION OF EFINACONAZOLE LUPIN LIMITED (IN) 2018-05-03 US disclosed
US-9932321-B2 Process for the preparation of piperidine compounds DIPHARMA FRANCIS S.R.L. (IT) 2018-04-03 US disclosed
WO-2017178909-A1 PROCESS FOR PREPARING INTERMEDIATES USEFUL IN THE SYNTHESIS OF ANTIFUNGAL DRUGS OLON S.P.A. (IT) 2017-10-19 WO disclosed
US-20170129874-A1 NOVEL IMPROVED PROCESS FOR PREPARING A TRIAZOLE ANTIFUNGAL AGENT VIRUPAKSHA ORGANICS LTD (IN) 2017-05-11 US disclosed
WO-2017021178-A1 NOVEL FUSED PYRIMIDINONE AND TRIAZINONE DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTIC USES AS ANTIFUNGAL AND/OR ANTIPARASITIC AGENTS. UNIVERSITE DE NANTES (FR) 2017-02-09 WO disclosed
WO-2017020944-A1 NOVEL FUSED PYRIMIDINONE AND TRIAZINONE DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTIC USES AS ANTIFUNGAL AND/OR ANTIPARASITIC AGENTS UNIVERSITE DE NANTES (FR) 2017-02-09 WO disclosed
US-8871942-B2 Process for producing 1-triazole-2-butanol derivatives KAKEN PHARMACEUTICAL CO., LTD. (JP) 2014-10-28 US disclosed
US-8871942-B2 Process for producing 1-triazole-2-butanol derivatives KAKEN PHARMACEUTICAL CO., LTD. (JP) 2014-10-28 US disclosed
US-20130150586-A1 PROCESS FOR PRODUCING 1-TRIAZOLE-2-BUTANOL DERIVATIVES KAKEN PHARMACEUTICAL CO., LTD. (JP) 2013-06-13 US disclosed
US-20130150586-A1 PROCESS FOR PRODUCING 1-TRIAZOLE-2-BUTANOL DERIVATIVES KAKEN PHARMACEUTICAL CO., LTD. (JP) 2013-06-13 US disclosed
US-5789429-A FUNGICIDE EISAI CO., LTD. (JP) 1998-08-04 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 (10 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-20180162833-A1 PROCESS FOR THE PREPARATION OF EFINACONAZOLE CYP3A43, CYP3A5, CYP51A1 CYP3A4 4/4885CYP2C9 13/4885CYP2C19 12/4885
US-20180118714-A1 PROCESS FOR THE PREPARATION OF EFINACONAZOLE CYP3A4, ERG28, CYP4Z1 CYP3A4 1/4885CYP2C9 47/4885CYP2C19 31/4885
US-20170129874-A1 NOVEL IMPROVED PROCESS FOR PREPARING A TRIAZOLE ANTIFUNGAL AGENT ERG28, CYP51A1, CYP4F11 CYP3A4 7/4885CYP2C9 38/4885CYP2C19 25/4885
US-10626115-B2 Fused pyrimidinone and triazinone derivatives containing bridged nitrogen, their process of preparation and their therapeutic uses as antifungal and/or antiparasitic agents DHFR, SAMHD1, TYMP CYP3A4 209/4885CYP2C9 953/4885CYP2C19 309/4885
US-20190292166-A1 PRODUCTION AND PURIFICATION METHODS FOR EFINACONAZOLE CYP4B1, ERG28, CYP4F3 CYP3A4 6/4885CYP2C9 50/4885CYP2C19 44/4885
US-20130150586-A1 PROCESS FOR PRODUCING 1-TRIAZOLE-2-BUTANOL DERIVATIVES CACNA1I, MED1, ADH1A CYP3A4 304/4885CYP2C9 715/4885CYP2C19 1130/4885
US-10479776-B2 Process for the preparation of Efinaconazole CYP3A4, ERG28, CYP4Z1 CYP3A4 1/4885CYP2C9 47/4885CYP2C19 31/4885
US-20190002467-A1 NOVEL FUSED PYRIMIDINONE AND TRIAZINONE DERIVATIVES CONTAINING BRIDGED NITROGEN, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTIC USES AS ANTIFUNGAL AND/OR ANTIPARASITIC AGENTS SAMHD1, DHFR, TYMP CYP3A4 273/4885CYP2C9 1342/4885CYP2C19 566/4885
US-20200181110-A1 PRODUCTION AND PURIFICATION METHODS FOR EFINACONAZOLE CYP4B1, ERG28, CYP4F3 CYP3A4 6/4885CYP2C9 50/4885CYP2C19 44/4885
US-10829475-B2 Production and purification methods for efinaconazole CYP4B1, ERG28, CYP4F3 CYP3A4 6/4885CYP2C9 50/4885CYP2C19 44/4885

“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.