SCHEMBL5317264

SCHEMBL5317264

c1ccc(NCc2cncnc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.67
VNN1 O95497 1/20 0.53
TAAR1 Q96RJ0 1/20 0.50
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
HTT P42858 1/20 0.47
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
FFAR1 O14842 1/20 0.44
PTPRF P10586 1/20 0.44
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN11 Q06124 1/20 0.44

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
SCHEMBL5266738 0.83 LTA4H (0.53) LTA4HVNN1ALDH1A1MEN1CYP1A2
SCHEMBL18228575 0.82 LTA4H (0.66) LTA4HALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL30642394 0.80 LTA4H (1.00) LTA4HVNN1ALDH1A1MEN1CYP1A2
SCHEMBL523753 0.80 LTA4H (1.00) LTA4HVNN1ALDH1A1MEN1CYP1A2
SCHEMBL5268459 0.78 HIF1A (0.46) LTA4HVNN1MEN1CYP3A4KMT2A
SCHEMBL4147302 0.78 VNN1 (0.52) LTA4HVNN1ALDH1A1CYP1A2CYP2C9
SCHEMBL5265213 0.77 HDAC1 (0.46) LTA4HVNN1MEN1CYP1A2CYP3A4
SCHEMBL2065031 0.77 CYP1A2 (0.69) LTA4HALDH1A1MEN1CYP1A2CYP3A4
N-Benzylaniline SCHEMBL7840 0.77 HTT (0.71) LTA4HALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL22628164 0.77 HTT (0.71) LTA4HALDH1A1MEN1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4288433-A1 NOVEL COMPOUNDS Cerevance, Inc. (US) 2023-12-13 EP disclosed
WO-2022167819-A1 NOVEL COMPOUNDS Cerevance, Inc. (US) 2022-08-11 WO disclosed
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 3270/4885VNN1 4400/4885TAAR1 213/4885

“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.