SCHEMBL5266738

SCHEMBL5266738

c1ccc(Cc2cccc(NCc3cncnc3)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.53
METAP2 P50579 1/20 0.46
VNN1 O95497 1/20 0.43
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
PABPC1 P11940 1/20 0.42
KMT2A Q03164 1/20 0.42
F2 P00734 1/20 0.42
FDPS P14324 1/20 0.42
FFAR1 O14842 1/20 0.42
PTPN1 P18031 1/20 0.41
PTPN11 Q06124 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NOS1 P29475 1/20 0.40

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
SCHEMBL5317264 0.83 LTA4H (0.67) LTA4HVNN1MEN1KMT2AFFAR1
SCHEMBL5265213 0.83 HDAC1 (0.46) LTA4HMETAP2VNN1MEN1MAPT
SCHEMBL5269412 0.80 CYP1A2 (0.44) LTA4HVNN1ALDH1A1USP2CYP1A2
SCHEMBL5268459 0.78 HIF1A (0.46) LTA4HVNN1MEN1MAPTPABPC1
SCHEMBL609110 0.75 CALM1 (0.60) LTA4HFDPS
SCHEMBL20917287 0.74 CACNA2D1 (0.50)
SCHEMBL11719477 0.74 MAOA (0.68) MEN1MAPTKMT2APTPN11KDM4E
SCHEMBL5267165 0.74 VNN1 (0.58) VNN1MEN1MAPTKMT2AKDM4E
SCHEMBL6690772 0.73 HTT (0.57) LTA4HMETAP2MEN1KMT2AF2
SCHEMBL18228575 0.71 LTA4H (0.66) LTA4HMEN1MAPTPABPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070287716-A1 Pyrimidine and Quinoline Potentiators of Metabotropic Glutamate Receptors MERCK SHARP & DOHME CORP. 2007-12-13 US disclosed
EP-1809608-A1 PYRIMIDINE AND QUINOLINE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS Merck & Co., Inc. (US) 2007-07-25 EP disclosed
WO-2006049968-A1 PYRIMIDINE AND QUINOLINE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK & CO., INC. (US) 2006-05-11 WO 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-20070287716-A1 Pyrimidine and Quinoline Potentiators of Metabotropic Glutamate Receptors GRM2, GRM1, GRIN2A LTA4H 3270/4885METAP2 643/4885VNN1 4400/4885

“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.