SCHEMBL5340414

SCHEMBL5340414

CC(Br)c1ncncc1F

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.37
CYP2C9 P11712 1/20 0.35
CYP2B6 P20813 1/20 0.35
CYP3A5 P20815 1/20 0.35
CYP3A7 P24462 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
CYP3A43 Q9HB55 1/20 0.35
CYP46A1 Q9Y6A2 1/20 0.35
LMNA P02545 1/20 0.35
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33

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
SCHEMBL1553635 0.83 CYP3A4 (0.40) CYP3A4CYP2C9CYP2B6CYP3A5CYP3A7
SCHEMBL2625489 0.83 CYP11B1 (0.40) CYP3A4CYP2C9CYP2B6CYP3A5CYP3A7
SCHEMBL31214086 0.76 CYP11B1 (0.39) CYP3A4CYP2C9CYP2B6CYP3A5CYP3A7
SCHEMBL22368312 0.75 CYP3A4 (0.40) CYP3A4CYP2C9CYP2B6CYP3A5CYP3A7
SCHEMBL2371326 0.72 AKR1C3 (0.38) CYP3A4CYP2C9CYP2B6CYP3A5CYP3A7
SCHEMBL2371309 0.71 CYP3A4 (0.36) CYP3A4CYP2C9CYP2B6CYP3A5CYP3A7
Lithium Ion SCHEMBL2370296 0.71 CYP3A4 (0.36) CYP3A4CYP2C9CYP2B6CYP3A5CYP3A7
Potassium Ion SCHEMBL2370572 0.71 CYP3A4 (0.36) CYP3A4CYP2C9CYP2B6CYP3A5CYP3A7
SCHEMBL30577163 0.68 SMN1; SMN2 (0.44)
SCHEMBL14562495 0.68 HCAR2 (0.34) CYP3A4CYP2C9CYP2B6CYP3A5CYP3A7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050272747-A1 Preparation of triazoles by organometallic addition to ketones and intermediates therefor PFIZER INC 2005-12-08 US claimed
EP-0871625-B1 PREPARATION OF TRIAZOLES BY ORGANOMETALLIC ADDITION TO KETONES AND INTERMEDIATES THEREFOR PFIZER RES ANDDEVELOPMENT COMP (IE) 2003-12-17 EP claimed
US-20030181720-A1 Preparation of triazoles by organometallic addition to ketones and intermediates therefor BUTTERS MICHAEL (GB) 2003-09-25 US claimed
EP-0871625-A1 PREPARATION OF TRIAZOLES BY ORGANOMETALLIC ADDITION TO KETONES AND INTERMEDIATES THEREFOR Pfizer Research and Development Company, N.V./S.A. (IE) 1998-10-21 EP claimed
WO-1997006160-A1 PREPARATION OF TRIAZOLES BY ORGANOMETALLIC ADDITION TO KETONES AND INTERMEDIATES THEREFOR PFIZER RESEARCH AND DEVELOPMENT COMPANY, N.V./S.A. (IE) 1997-02-20 WO claimed
CN-113354625-B Synthesis process of voriconazole 安徽普利药业有限公司 2023-09-26 CN disclosed
CN-113354625-A Synthesis process of voriconazole 安徽普利药业有限公司 2021-09-07 CN disclosed
US-7193083-B2 Preparation of triazoles by organometallic addition to ketones and intermediates therefor PFIZER, INC. (US) 2007-03-20 US disclosed
US-20050272747-A1 Preparation of triazoles by organometallic addition to ketones and intermediates therefor PFIZER INC 2005-12-08 US disclosed
US-6946555-B2 Preparation of triazoles by organometallic addition to ketones and intermediates therefor PFIZER INC (US) 2005-09-20 US disclosed
EP-0871625-B1 PREPARATION OF TRIAZOLES BY ORGANOMETALLIC ADDITION TO KETONES AND INTERMEDIATES THEREFOR PFIZER RES ANDDEVELOPMENT COMP (IE) 2003-12-17 EP disclosed
US-20030181720-A1 Preparation of triazoles by organometallic addition to ketones and intermediates therefor BUTTERS MICHAEL (GB) 2003-09-25 US disclosed
US-6586594-B1 Reacting 1-(2,4-difluorophenyl)-2-(1H-1,2,4-triazol-1-yl) ethanone and 6-(1-bromoethyl)-4-chloro-5-fluoropyrimidine in the presence of zinc, iodine, lewis acids, aprotic solvents and optionally lead to form sterospecific fungicides PFIZER, INC. 2003-07-01 US disclosed
EP-0871625-A1 PREPARATION OF TRIAZOLES BY ORGANOMETALLIC ADDITION TO KETONES AND INTERMEDIATES THEREFOR Pfizer Research and Development Company, N.V./S.A. (IE) 1998-10-21 EP disclosed
WO-1997006160-A1 PREPARATION OF TRIAZOLES BY ORGANOMETALLIC ADDITION TO KETONES AND INTERMEDIATES THEREFOR PFIZER RESEARCH AND DEVELOPMENT COMPANY, N.V./S.A. (IE) 1997-02-20 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 (2 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-20030181720-A1 Preparation of triazoles by organometallic addition to ketones and intermediates therefor IKZF2, SLC39A11, IKZF3 CYP3A4 169/4885CYP2C9 624/4885CYP2B6 164/4885
US-20050272747-A1 Preparation of triazoles by organometallic addition to ketones and intermediates therefor SLC39A11, IKZF2, IKZF3 CYP3A4 149/4885CYP2C9 476/4885CYP2B6 207/4885

“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.