SCHEMBL649593

SCHEMBL649593

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CC#N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
NR1H3 Q13133 1/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
HSD17B10 Q99714 3/20 0.44
C5AR1 P21730 1/20 0.43
PDE4B Q07343 3/20 0.42
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 1/20 0.39
HSD11B1 P28845 2/20 0.39
GRK6 P43250 1/20 0.38
ADORA2B P29275 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL11092583 0.86 TSHR (0.51) TSHRNR1H3KDM4EALDH1A1HPGD
SCHEMBL648785 0.82 TSHR (0.56) TSHRNR1H3KDM4EALDH1A1HPGD
SCHEMBL650144 0.79 TSHR (0.52) TSHRNR1H3KDM4EALDH1A1HPGD
SCHEMBL5071460 0.79 TSHR (0.63) TSHRNR1H3KDM4EALDH1A1HPGD
SCHEMBL650694 0.78 TSHR (0.51) TSHRNR1H3KDM4EALDH1A1HPGD
SCHEMBL18152846 0.77 TSHR (0.61) TSHRNR1H3KDM4EALDH1A1HPGD
SCHEMBL651094 0.77 TSHR (0.50) TSHRNR1H3KDM4EALDH1A1HPGD
SCHEMBL5138025 0.77 C5AR1 (0.47) TSHRNR1H3KDM4EALDH1A1HPGD
SCHEMBL1912766 0.75 TSHR (0.51) TSHRNR1H3KDM4EALDH1A1HPGD
SCHEMBL1912787 0.75 TSHR (0.48) TSHRNR1H3KDM4EALDH1A1HPGD

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 12 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-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-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
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 TSHR 326/4885NR1H3 1229/4885KDM4E 2551/4885

“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.