SCHEMBL3089882

SCHEMBL3089882

c1ccc2c(c1)CN=N[N]2

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
TRPA1 O75762 1/20 0.33
CYP2D6 P10635 1/20 0.32
MEN1 O00255 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 2/20 0.31
PLAU P00749 1/20 0.30

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
SCHEMBL30550573 0.75
SCHEMBL2981952 0.75
SCHEMBL33197 0.75
SCHEMBL29657670 0.70 TSHR (0.42) NOS3NOS1NOS2TSHRPLAU
SCHEMBL1420960 0.70 TSHR (0.42) NOS3NOS1NOS2TSHRPLAU
SCHEMBL3523540 0.69
SCHEMBL1267196 0.67 PLAU (0.39) NOS3NOS1NOS2TRPA1TSHR
SCHEMBL3097985 0.67 NOS3 (0.34) NOS3NOS1NOS2TRPA1TSHR
SCHEMBL2500364 0.62 NOS3 (0.34) NOS3NOS1NOS2TRPA1MEN1
SCHEMBL1279892 0.62 TRPA1 (0.42) NOS3NOS1NOS2TRPA1TSHR

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-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. 2010-09-16 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 (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-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CCR2, CCR9, CCR1 NOS3 4123/4885NOS1 4477/4885NOS2 3568/4885

“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.