SCHEMBL649518

SCHEMBL649518

N#Cc1nc(-c2ccccc2)[nH]c1C=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.48
ALDH1A1 P00352 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 1/20 0.48
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
ERBB2 P04626 1/20 0.40
BTK Q06187 1/20 0.40
HTT P42858 2/20 0.39
TNKS O95271 1/20 0.39
PARP1 P09874 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
MAPK13 O15264 1/20 0.39
RAF1 P04049 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
GAA P10253 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 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
SCHEMBL1422649 0.76 BTK (0.44) HPGDALDH1A1CYP1A2MEN1KMT2A
SCHEMBL7074324 0.76 ALDH1A1 (0.49) HPGDALDH1A1CYP1A2CYP2C9MEN1
SCHEMBL5361379 0.76 POLB (0.53) HPGDALDH1A1CYP1A2CYP2C9MEN1
SCHEMBL811736 0.75 MAPT (0.49) HPGDALDH1A1CYP1A2MEN1KMT2A
SCHEMBL11314796 0.75 BTK (0.43) HPGDALDH1A1CYP1A2MEN1KMT2A
SCHEMBL9617362 0.71 HPGD (0.44) HPGDALDH1A1CYP1A2CYP2C9MEN1
SCHEMBL655574 0.71 HPGD (0.49) HPGDALDH1A1CYP1A2CYP2C9MEN1
SCHEMBL6621138 0.67 ADORA2B (0.41) ALDH1A1CYP1A2CYP2C9MEN1KMT2A
SCHEMBL19833278 0.67 GAA (0.41) HPGDALDH1A1CYP1A2CYP2C9MEN1
SCHEMBL28505674 0.65 HPGD (0.38) HPGDALDH1A1CYP1A2CYP2C9MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed
US-20070208048-A1 New Aryl Imidazoles and Related Compounds as C5a Receptor Modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2007-09-06 US disclosed
US-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 US disclosed
EP-1490343-A1 NEW ARYL IMIDAZOLES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS Neurogen Corporation (US) 2004-12-29 EP disclosed
US-20040116424-A1 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION 2004-06-17 US disclosed
WO-2003082829-A1 NEW ARYL IMIDAZOLES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2003-10-09 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-20070208048-A1 New Aryl Imidazoles and Related Compounds as C5a Receptor Modulators C3AR1, C5AR1, C5AR2 HPGD 1577/4885ALDH1A1 3370/4885CYP1A2 359/4885

“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.