SCHEMBL5337472

SCHEMBL5337472

CC(Br)c1cc(Cl)ncn1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL857697 0.82 NPC1 (0.33) NPC1MEN1KMT2A
SCHEMBL4313975 0.78 MEN1 (0.34) NPC1MEN1KMT2A
SCHEMBL22065533 0.78 NPC1 (0.32) NPC1MEN1KMT2A
SCHEMBL1660320 0.78 AAK1 (0.32) NPC1MEN1KMT2A
SCHEMBL1661171 0.78 NPC1 (0.32) NPC1MEN1KMT2A
SCHEMBL10271145 0.75 AAK1 (0.31) NPC1
SCHEMBL1661227 0.73 SMARCA2 (0.41) NPC1MEN1KMT2A
Isopropyl Alcohol SCHEMBL28207243 0.72 NPC1 (0.35) NPC1MEN1KMT2A
SCHEMBL24386951 0.71 NPC1 (0.31) NPC1MEN1KMT2A
SCHEMBL5407414 0.71 HTR2C (0.37) KMT2A

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
US-7193083-B2 Preparation of triazoles by organometallic addition to ketones and intermediates therefor PFIZER, INC. (US) 2007-03-20 US disclosed
US-7193083-B2 Preparation of triazoles by organometallic addition to ketones and intermediates therefor PFIZER, INC. (US) 2007-03-20 US 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 NPC1 906/4885MEN1 592/4885KMT2A 941/4885
US-20050272747-A1 Preparation of triazoles by organometallic addition to ketones and intermediates therefor SLC39A11, IKZF2, IKZF3 NPC1 1204/4885MEN1 311/4885KMT2A 1037/4885

“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.