SCHEMBL14005263

SCHEMBL14005263

O=C(NCc1nc2ccccc2[nH]1)c1cnc(NNCc2ccccc2)nc1C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 14/20 0.58
RAB9A P51151 1/20 0.53
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 1/20 0.46
SLC40A1 Q9NP59 1/20 0.45
KDM4E B2RXH2 1/20 0.45
HSD17B10 Q99714 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
SCHEMBL4745657 0.86 CNR2 (0.76) CNR2
SCHEMBL14030757 0.86 RAB9A (0.53) CNR2RAB9APOLBSMN1; SMN2KMT2A
SCHEMBL14005264 0.79 CNR2 (0.44) CNR2
SCHEMBL14005256 0.74 CNR2 (0.55) CNR2
SCHEMBL14005259 0.72 CNR2 (0.52) CNR2KMT2A
SCHEMBL14029902 0.71 CNR2 (0.52) CNR2KMT2A
SCHEMBL14005266 0.70 RAB9A (0.55) CNR2RAB9AKMT2AKDM4E
SCHEMBL4745582 0.70 CNR2 (0.69) CNR2
SCHEMBL5780667 0.70 CNR2 (0.81) CNR2
SCHEMBL5780688 0.70 CNR2 (1.00) CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 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 (1 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-20080293711-A1 Chemokine receptor modulators CCR5, CCL2, CXCR4 CNR2 496/4885RAB9A 1363/4885POLB 2589/4885

“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.