SCHEMBL13019221

SCHEMBL13019221

CC(C)(C)CNCc1cnc2nc(N)nc(N)c2n1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DHFR P00374 5/20 0.56
CA1 P00915 4/20 0.52
CA2 P00918 4/20 0.52
CA9 Q16790 2/20 0.52
NOS1 P29475 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
SCHEMBL16980950 0.81 NOS1 (0.53) DHFRNOS1
SCHEMBL5790738 0.81 DHFR (0.58) DHFRCA1CA2CA9NOS1
SCHEMBL14169207 0.81 CA1 (0.61) DHFRCA1CA2CA9NOS1
SCHEMBL5549729 0.78 DHFR (0.58) DHFRCA1CA2CA9NOS1
SCHEMBL25837567 0.77 DHFR (0.54) DHFRCA1CA2CA9NOS1
SCHEMBL3745109 0.77 DHFR (0.80) DHFRCA1CA2CA9
SCHEMBL3740020 0.76 DHFR (0.64) DHFRCA1CA2CA9
SCHEMBL8813993 0.76 NOS1 (0.61) DHFRNOS1
SCHEMBL24845727 0.76 CA1 (0.66) DHFRCA1CA2CA9
SCHEMBL11634253 0.74 CA1 (0.72) DHFRCA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2039683-B1 Vasculostatic agents and methods of use thereof TARGEGEN INC (US) 2012-12-19 EP disclosed
US-20100330030-A1 Vasculostatic Agents and Methods of Use Thereof TARGEGEN, INC. (US) 2010-12-30 US disclosed
US-20100330030-A1 Vasculostatic Agents and Methods of Use Thereof TARGEGEN, INC. (US) 2010-12-30 US disclosed
US-20100278811-A1 VASCULOSTATIC AGENTS AND METHODS OF USE THEREOF TARGEGEN INC. 2010-11-04 US disclosed
US-20100278811-A1 VASCULOSTATIC AGENTS AND METHODS OF USE THEREOF TARGEGEN INC. 2010-11-04 US disclosed
EP-2039683-A2 Vasculostatic agents and methods of use thereof Targegen, Inc. (US) 2009-03-25 EP disclosed
US-20070208019-A1 Vasculostatic agents and methods of use thereof TARGEGEN, INC. 2007-09-06 US disclosed
US-20070208019-A1 Vasculostatic agents and methods of use thereof TARGEGEN, INC. 2007-09-06 US disclosed
US-7208493-B2 Vasculostatic agents and methods of use thereof TARGEGEN, INC. (US) 2007-04-24 US disclosed
US-7208493-B2 Vasculostatic agents and methods of use thereof TARGEGEN, INC. (US) 2007-04-24 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 (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-20100330030-A1 Vasculostatic Agents and Methods of Use Thereof RBP1, RBP4, VCAM1 DHFR 1951/4885CA1 1394/4885CA2 2351/4885
US-20070208019-A1 Vasculostatic agents and methods of use thereof RBP1, RBP4, VCAM1 DHFR 1951/4885CA1 1394/4885CA2 2351/4885
US-20100278811-A1 VASCULOSTATIC AGENTS AND METHODS OF USE THEREOF RBP1, RBP4, VCAM1 DHFR 1951/4885CA1 1394/4885CA2 2351/4885

“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.