SCHEMBL6727909

SCHEMBL6727909

c1ccc(COc2cccc(NCc3cccnc3)c2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.70
LTA4H P09960 1/20 0.64
ROCK2 O75116 1/20 0.59
GRK2 P25098 1/20 0.59
F2 P00734 2/20 0.57
FFAR1 O14842 1/20 0.57
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
ALDH1A1 P00352 2/20 0.56
MAPT P10636 2/20 0.56
KDM4E B2RXH2 1/20 0.56
GAA P10253 1/20 0.56
THRB P10828 1/20 0.56
PKM P14618 1/20 0.56
RAB9A P51151 1/20 0.56
BLM P54132 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
POLB P06746 1/20 0.53
PABPC1 P11940 1/20 0.52
MAOB P27338 1/20 0.50

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
SCHEMBL5310163 0.86 MEN1 (0.68) ROCK2GRK2F2FFAR1MEN1
SCHEMBL19312422 0.82 LTA4H (0.60) MAPK1LTA4HMEN1KMT2AALDH1A1
SCHEMBL24124983 0.80 MEN1 (0.62) MAPK1ROCK2GRK2F2FFAR1
SCHEMBL30642394 0.80 LTA4H (1.00) LTA4HMEN1KMT2AALDH1A1MAPT
SCHEMBL523753 0.80 LTA4H (1.00) LTA4HMEN1KMT2AALDH1A1MAPT
SCHEMBL10032807 0.80 APP (0.59) MAPK1
SCHEMBL6732732 0.79 LTA4H (0.57) MAPK1LTA4HGRK2F2MEN1
SCHEMBL6732463 0.79 CYP2C19 (0.62) LTA4HF2MEN1KMT2AALDH1A1
SCHEMBL28079813 0.79 MAOB (0.58) ROCK2GRK2FFAR1MEN1KMT2A
SCHEMBL6731979 0.79 LTA4H (0.56) MAPK1LTA4HF2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6800651-B2 Potentiators of glutamate receptors ELI LILLY AND COMPANY 2004-10-05 US disclosed
US-20040006114-A1 Potentiators of glutamate receptors ELI LILLY AND COMPANY 2004-01-08 US disclosed
EP-1255735-A2 PYRIDINE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2002-11-13 EP disclosed
WO-2001056990-A2 PYRIDINE DERIVATES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2001-08-09 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-20040006114-A1 Potentiators of glutamate receptors GRM1, GRIN1, GRM2 MAPK1 1745/4885LTA4H 1721/4885ROCK2 3772/4885

“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.