SCHEMBL650101

SCHEMBL650101

CCCCc1c(CBr)ncnc1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 1/20 0.42
HSD11B1 P28845 2/20 0.39
GPR84 Q9NQS5 1/20 0.39
GCGR P47871 1/20 0.38
PIK3CA P42336 1/20 0.37
MTOR P42345 1/20 0.37
TLR8 Q9NR97 3/20 0.36
JAK2 O60674 2/20 0.36
JAK3 P52333 2/20 0.36
TSHR P16473 1/20 0.36
ADORA2A P29274 1/20 0.36
SOAT1 P35610 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TACR3 P29371 1/20 0.35

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
SCHEMBL28754990 0.91 HSD11B1 (0.39) ERBB2HSD11B1GPR84GCGRPIK3CA
SCHEMBL647774 0.81 HSD11B1 (0.43) HSD11B1GPR84GCGRPIK3CAMTOR
SCHEMBL647979 0.78 KDM4E (0.44) ERBB2HSD11B1GPR84GCGRTLR8
SCHEMBL27620786 0.74 KDM4E (0.43) ERBB2HSD11B1GPR84GCGRTLR8
SCHEMBL649610 0.70 AGTR1 (0.42) TSHRTDP1TACR3
SCHEMBL2318770 0.69 GSK3A (0.42) HSD11B1GPR84PIK3CAMTORTLR8
SCHEMBL11784770 0.68 USP7 (0.42) GCGRPIK3CAMTORJAK2JAK3
SCHEMBL12495851 0.68 TLR8 (0.60) HSD11B1GPR84TLR8ADORA2A
SCHEMBL649355 0.68 PDK1 (0.43) HSD11B1GPR84TLR8TSHRSOAT1
SCHEMBL650305 0.68 GCGR (0.44) HSD11B1GPR84GCGRTLR8TSHR

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 9 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-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-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
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 ERBB2 227/4885HSD11B1 3281/4885GPR84 130/4885

“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.