SCHEMBL4630171

SCHEMBL4630171

[c]1ncccc1NCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.49
FABP1 P07148 1/20 0.46
FABP6 P51161 1/20 0.46
LTA4H P09960 1/20 0.43
KMT2A Q03164 2/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.41
RAD52 P43351 1/20 0.41
EGFR P00533 1/20 0.41
APP P05067 2/20 0.40
NOS2 P35228 1/20 0.40
GPR68 Q15743 1/20 0.40
KCNH3 Q9ULD8 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL2115823 0.84 RAB9A (0.51) KMT2AHPGDMEN1ALDH1A1POLB
SCHEMBL1388526 0.75
SCHEMBL5487787 0.75
SCHEMBL2068624 0.72 KDM4E (0.38) HPGDALDH1A1RAD52APPKDM4E
SCHEMBL2652417 0.71
SCHEMBL70760 0.71 HSD17B10 (0.44) KMT2AHPGDMEN1ALDH1A1POLB
SCHEMBL693665 0.71 HSD17B10 (0.47) BACE1FABP1FABP6KMT2AHPGD
SCHEMBL8582933 0.71
SCHEMBL2067572 0.70 ESR1 (0.35) ALDH1A1
SCHEMBL12470535 0.69 GPR39 (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040229917-A1 Imidazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2004-11-18 US claimed
EP-1606277-B8 IMIDAZOL-4-YL-ETHYNYL-PYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-10-15 EP disclosed
EP-1606277-B1 IMIDAZOL-4-YL-ETHYNYL-PYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-05-14 EP disclosed
US-7153874-B2 Imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2006-12-26 US disclosed
EP-1606277-A1 IMIDAZOL-4-YL-ETHYNYL-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-12-21 EP disclosed
US-20040229917-A1 Imidazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2004-11-18 US disclosed
WO-2004080998-A1 IMIDAZOL-4-YL-ETHYNYL-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-09-23 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-20040229917-A1 Imidazole derivatives GRIK4, GRIA4, GRIK5 BACE1 617/4885FABP1 4083/4885FABP6 3684/4885

“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.