SCHEMBL649956

SCHEMBL649956

OCc1[nH]c(-c2ccccc2)nc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.45
NPBWR1 P48145 1/20 0.43
MAPK13 O15264 5/20 0.43
MAPK12 P53778 5/20 0.43
MAPK11 Q15759 5/20 0.43
MAPK14 Q16539 5/20 0.43
RAF1 P04049 3/20 0.43
BRAF P15056 3/20 0.42
DGAT1 O75907 1/20 0.41
KCNH2 Q12809 1/20 0.41
MAPK9 P45984 2/20 0.40
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
GCGR P47871 2/20 0.38
TNKS O95271 1/20 0.38
WNT3A P56704 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
ALOX5 P09917 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL9081383 0.80 BRAF (0.46) HPGDMAPK13MAPK12MAPK11MAPK14
SCHEMBL7140146 0.80 BRAF (0.52) HPGDMAPK13MAPK12MAPK11MAPK14
SCHEMBL8678923 0.79 KDM4E (0.48) HPGDTNKSWNT3ATNKS2CYP1A2
SCHEMBL9006008 0.76 HPGD (0.50) HPGDNPBWR1MAPK13MAPK12MAPK11
SCHEMBL33678 0.76 KDM4E (0.50) HPGDBRAFNPC1GAARAB9A
SCHEMBL33656 0.76 GAA (0.43) HPGDMAPK13MAPK12MAPK11MAPK14
Ammonia Solution, Strong SCHEMBL25300630 0.75 GAA (0.42) HPGDMAPK13MAPK12MAPK11MAPK14
SCHEMBL28104155 0.75 KDM4E (0.49) HPGDBRAFNPC1GAARAB9A
SCHEMBL10959313 0.74 DGAT1 (0.44) HPGDMAPK13MAPK12MAPK11MAPK14
SCHEMBL9339022 0.72 SMPD3 (0.46) HPGDBRAFNPC1GAARAB9A

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.