SCHEMBL1475447

SCHEMBL1475447

COc1cc(N=C(NC#N)NCc2ccccc2Br)ccc1-c1cnco1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 19/20 0.63
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45

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
SCHEMBL1475444 1.00 IMPDH2 (0.63) IMPDH2ROCK2ROCK1
SCHEMBL5614121 0.91 IMPDH2 (0.65) IMPDH2ROCK2ROCK1
SCHEMBL5614013 0.84 IMPDH2 (0.64) IMPDH2
SCHEMBL5539799 0.83 IMPDH2 (0.74) IMPDH2
SCHEMBL1476108 0.83 IMPDH2 (0.69) IMPDH2
SCHEMBL1476109 0.83 IMPDH2 (0.69) IMPDH2
SCHEMBL5529251 0.83 IMPDH2 (0.69) IMPDH2
SCHEMBL1473831 0.83 IMPDH2 (0.64) IMPDH2
SCHEMBL1473834 0.83 IMPDH2 (0.64) IMPDH2
SCHEMBL16239574 0.82 IMPDH2 (0.63) IMPDH2

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-6420403-B1 INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE, TRANSPLANT REJECTION AND AUTOIMMUNE DISEASES. BRISTOL-MYERS SQUIBB COMPANY 2002-07-16 US claimed
EP-2803357-B1 Angiogenesis inhibitors UNIV JOHNS HOPKINS (US) 2020-11-18 EP disclosed
US-9642865-B2 Angiogenesis inhibitors THE JOHNS HOPKINS UNIVERSITY (US) 2017-05-09 US disclosed
US-8980930-B2 Angiogenesis inhibitors THE JOHNS HOPKINS UNIVERSITY (US) 2015-03-17 US disclosed
US-20150056267-A1 ANGIOGENESIS INHIBITORS UNIV JOHNS HOPKINS (US) 2015-02-26 US disclosed
EP-2803357-A2 Angiogenesis inhibitors THE JOHNS-HOPKINS UNIVERSITY (US) 2014-11-19 EP disclosed
US-20130101657-A1 ANGIOGENESIS INHIBITORS THE JOHNS HOPKINS UNIVERSITY (US) 2013-04-25 US disclosed
US-7915255-B2 Metabolism-modulating agents and uses therefor VERVA PHARMACEUTICALS PTY LTD (AU) 2011-03-29 US disclosed
US-20080193499-A1 Angiogenesis Inhibitors THE JOHNS HOPKINS UNIVERSITY (US) 2008-08-14 US disclosed
EP-1786415-A1 METABOLISM-MODULATING AGENTS AND USES THEREFOR THE UNIVERSITY OF QUEENSLAND (AU) 2007-05-23 EP disclosed
EP-1765336-A2 ANGIOGENESIS INHIBITORS THE JOHNS-HOPKINS UNIVERSITY (US) 2007-03-28 EP disclosed
US-20060106097-A1 Metabolism-modulating agents and uses therefor UNIVERSITY OF QUEENSLAND (AU) 2006-05-18 US disclosed
WO-2006017896-A1 METABOLISM-MODULATING AGENTS AND USES THEREFOR THE UNIVERSITY OF QUEENSLAND (AU) 2006-02-23 WO disclosed
WO-2006004795-A2 ANGIOGENESIS INHIBITORS THE JOHNS HOPKINS UNIVERSITY (US) 2006-01-12 WO disclosed
US-6420403-B1 INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE, TRANSPLANT REJECTION AND AUTOIMMUNE DISEASES. BRISTOL-MYERS SQUIBB COMPANY 2002-07-16 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 (4 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-20150056267-A1 ANGIOGENESIS INHIBITORS FLT1, VEGFA, FLT4 IMPDH2 2862/4885ROCK2 850/4885ROCK1 600/4885
US-20080193499-A1 Angiogenesis Inhibitors FLT1, VEGFA, FLT4 IMPDH2 2862/4885ROCK2 850/4885ROCK1 600/4885
US-20130101657-A1 ANGIOGENESIS INHIBITORS FLT1, VEGFA, FLT4 IMPDH2 2862/4885ROCK2 850/4885ROCK1 600/4885
US-20060106097-A1 Metabolism-modulating agents and uses therefor IMPDH1, IMPDH2, HADHB IMPDH2 2/4885ROCK2 2005/4885ROCK1 1409/4885

“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.