SCHEMBL655574

SCHEMBL655574

O=Cc1[nH]c(-c2ccccc2)nc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.49
NPBWR1 P48145 1/20 0.43
MAPK13 O15264 2/20 0.43
RAF1 P04049 2/20 0.43
MAPK12 P53778 2/20 0.43
MAPK11 Q15759 2/20 0.43
MAPK14 Q16539 2/20 0.43
TNKS O95271 2/20 0.41
TNKS2 Q9H2K2 2/20 0.41
WNT3A P56704 1/20 0.41
DGAT1 O75907 1/20 0.41
KCNH2 Q12809 1/20 0.41
POLB P06746 2/20 0.41
MAPK9 P45984 1/20 0.40
BTK Q06187 1/20 0.40
PARP1 P09874 1/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2C9 P11712 2/20 0.39
KDM4E B2RXH2 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
SCHEMBL5361379 0.80 POLB (0.53) HPGDMAPK13RAF1MAPK12MAPK11
SCHEMBL9006008 0.76 HPGD (0.50) HPGDNPBWR1MAPK13RAF1MAPK12
SCHEMBL1422649 0.76 BTK (0.44) HPGDMAPK13RAF1MAPK12MAPK11
SCHEMBL811736 0.75 MAPT (0.49) HPGDTNKSTNKS2POLBBTK
SCHEMBL11314796 0.75 BTK (0.43) HPGDMAPK13RAF1MAPK12MAPK11
SCHEMBL8677012 0.73 KMT2A (0.66) HPGDNPBWR1TNKSTNKS2WNT3A
SCHEMBL7184765 0.72 HPGD (0.47) HPGDNPBWR1MAPK13RAF1MAPK12
SCHEMBL649518 0.71 HPGD (0.48) HPGDMAPK13RAF1MAPK12MAPK11
SCHEMBL27653987 0.71 ESR1 (0.52) HPGDMAPK13RAF1MAPK12MAPK11
SCHEMBL649956 0.71 HPGD (0.45) HPGDNPBWR1MAPK13RAF1MAPK12

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 1577/4885NPBWR1 533/4885MAPK13 2911/4885

“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.