SCHEMBL6283233

SCHEMBL6283233

C[C@@H](c1ccc(-c2ccnn2C)cc1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 17/20 0.60
CYP2C9 P11712 11/20 0.60
CYP2C19 P33261 11/20 0.60
LMNA P02545 2/20 0.60
CYP2B6 P20813 1/20 0.60
CYP3A5 P20815 1/20 0.60
CYP3A7 P24462 1/20 0.60
MAPK1 P28482 1/20 0.60
CYP3A43 Q9HB55 1/20 0.60
CYP46A1 Q9Y6A2 1/20 0.60
KCNH2 Q12809 3/20 0.56
HSP90AA1 P07900 1/20 0.53
CYP19A1 P11511 1/20 0.53
CYP11B1 P15538 1/20 0.53
CYP11B2 P19099 1/20 0.53
ADRA1A P35348 1/20 0.53
CYP51A1 Q16850 1/20 0.53
CYP1A2 P05177 6/20 0.52
CYP2D6 P10635 6/20 0.52
ABCG2 Q9UNQ0 1/20 0.48

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
SCHEMBL14581431 0.89 CYP3A4 (0.49) CYP3A4CYP2C9CYP2C19LMNACYP2B6
SCHEMBL7259777 0.89 CYP3A4 (0.62) CYP3A4CYP2C9CYP2C19LMNACYP2B6
SCHEMBL7268075 0.88 CYP3A4 (0.70) CYP3A4CYP2C9CYP2C19LMNACYP2B6
SCHEMBL7278330 0.88 CYP3A4 (0.70) CYP3A4CYP2C9CYP2C19LMNACYP2B6
SCHEMBL9826014 0.87 CYP3A4 (0.72) CYP3A4CYP2C9CYP2C19LMNACYP2B6
SCHEMBL7680346 0.84 CYP3A4 (0.56) CYP3A4CYP2C9CYP2C19LMNACYP2B6
SCHEMBL7680351 0.84 CYP3A4 (0.56) CYP3A4CYP2C9CYP2C19LMNACYP2B6
SCHEMBL9826002 0.84 CYP3A4 (0.67) CYP3A4CYP2C9CYP2C19LMNACYP2B6
SCHEMBL7682304 0.84 CYP3A4 (0.67) CYP3A4CYP2C9CYP2C19LMNACYP2B6
SCHEMBL9826570 0.83 CYP3A4 (0.70) CYP3A4CYP2C9CYP2C19LMNACYP2B6

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0835252-B1 TRIAZOLE ANTIFUNGAL AGENTS PFIZER RES & DEV (IE) 2003-07-30 EP claimed
WO-1997001552-A1 TRIAZOLE ANTIFUNGAL AGENTS PFIZER RESEARCH AND DEVELOPMENT COMPANY, N.V./S.A. (IE) 1997-01-16 WO claimed
US-20070027115-A1 Triazole derivatives useful in therapy PFIZER INC. 2007-02-01 US disclosed
US-20070027115-A1 Triazole derivatives useful in therapy PFIZER INC. 2007-02-01 US disclosed
US-6977302-B2 Triazole derivatives useful in therapy AGOURON PHARMACEUTICALS, INC. (US) 2005-12-20 US disclosed
US-20050130940-A1 Triazole derivatives useful in therapy PFIZER INC. 2005-06-16 US disclosed
US-6790957-B2 CONVERTING TERTIARY HYDROXY GROUP OF A TRIAZOLE ANTIFUNGAL COMPOUND INTO A PHOSPHATE GROUP TO IMPROVE AQUEOUS SOLUBILITY PFIZER, INC. 2004-09-14 US disclosed
US-20030144250-A1 Triazole derivatives useful in therapy GREEN STUART (GB) 2003-07-31 US disclosed
EP-0835252-B1 TRIAZOLE ANTIFUNGAL AGENTS PFIZER RES & DEV (IE) 2003-07-30 EP disclosed
US-6015825-A Triazole antifungal agents PFIZER INC. (US) 2000-01-18 US disclosed
EP-0835252-A1 TRIAZOLE ANTIFUNGAL AGENTS Pfizer Research and Development Company, N.V./S.A. (IE) 1998-04-15 EP disclosed
WO-1997001552-A1 TRIAZOLE ANTIFUNGAL AGENTS PFIZER RESEARCH AND DEVELOPMENT COMPANY, N.V./S.A. (IE) 1997-01-16 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-20050130940-A1 Triazole derivatives useful in therapy ERG28, CYP51A1, THOP1 CYP3A4 61/4885CYP2C9 299/4885CYP2C19 138/4885
US-20070027115-A1 Triazole derivatives useful in therapy ERG28, CYP51A1, THOP1 CYP3A4 61/4885CYP2C9 299/4885CYP2C19 138/4885
US-20030144250-A1 Triazole derivatives useful in therapy CYP51A1, THOP1, ERG28 CYP3A4 87/4885CYP2C9 301/4885CYP2C19 202/4885

“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.