SCHEMBL4341802

SCHEMBL4341802

NC(=O)c1cc(Cc2ccccc2)nn1-c1ccc2ncncc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.39
GRK5 P34947 1/20 0.39
NAMPT P43490 1/20 0.38
EGFR P00533 3/20 0.36
RPS6KB1 P23443 2/20 0.35
AKT1 P31749 2/20 0.35
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
BRD4 O60885 2/20 0.35
ABL1 P00519 1/20 0.35
SRC P12931 1/20 0.35
HSP90AA1 P07900 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SCN9A Q15858 2/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
MGLL Q99685 1/20 0.33

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
SCHEMBL16111401 0.71 ALDH1A1 (0.59) LMNAKLKB1
SCHEMBL4341809 0.71 SMN1; SMN2 (0.45) NAMPTPIK3CDPIK3CALMNASMN1; SMN2
SCHEMBL4325835 0.67 PIK3CD (0.43) NAMPTEGFRPIK3CDPIK3CA
SCHEMBL4316563 0.67 PIK3CD (0.43) NAMPTEGFRRPS6KB1AKT1PIK3CD
SCHEMBL4316571 0.67 PIK3CD (0.43) NAMPTEGFRRPS6KB1AKT1HSP90AA1
SCHEMBL4325828 0.67 PIK3CD (0.42) FYNGRK5NAMPTEGFRPIK3CD
SCHEMBL4325902 0.66 PIK3CD (0.41) NAMPTEGFRRPS6KB1AKT1PIK3CD
SCHEMBL4331608 0.65 PIK3CD (0.40) NAMPTEGFRRPS6KB1AKT1PIK3CD
SCHEMBL16111891 0.65 HDAC6 (0.46) LMNASMN1; SMN2KLKB1
SCHEMBL5676295 0.64 EGFR (0.56) NAMPTEGFRPIK3CDPIK3CASMN1; SMN2

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-20090069320-A1 Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof GRUENENTHAL GMBH (DE) 2009-03-12 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-20090069320-A1 Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof GRM1, GRIN1, GRM2 FYN 2431/4885GRK5 34/4885NAMPT 2458/4885

“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.