SCHEMBL4502162

SCHEMBL4502162

Fc1cccc(-c2ccc3nnc(S)n3n2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 6/20 0.52
MET P08581 4/20 0.49
KDM4E B2RXH2 3/20 0.48
HSD17B10 Q99714 3/20 0.48
CYP1A2 P05177 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
CYP3A4 P08684 1/20 0.48
GABRA1 P14867 1/20 0.48
GABRG2 P18507 1/20 0.48
GABRB3 P28472 1/20 0.48
GABRA5 P31644 1/20 0.48
GABRA3 P34903 1/20 0.48
GABRA2 P47869 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
ALOX15 P16050 1/20 0.45

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
SCHEMBL2764591 0.82 KDM4E (0.68) FYNMETKDM4EHSD17B10CYP1A2
SCHEMBL11628686 0.82 KDM4E (0.69) FYNKDM4EHSD17B10CYP1A2ALDH1A1
SCHEMBL4506913 0.81 KDM4E (0.65) FYNMETKDM4EHSD17B10
SCHEMBL11399002 0.80 CYP1A2 (0.58) FYNMETKDM4EHSD17B10CYP1A2
SCHEMBL4508531 0.79 MET (0.53) METKDM4EHSD17B10CYP1A2ALDH1A1
SCHEMBL11386062 0.79 MET (0.57) FYNMETKDM4EHSD17B10CYP1A2
SCHEMBL11647246 0.79 MET (0.59) FYNMETKDM4EHSD17B10CYP1A2
SCHEMBL4497709 0.77 MET (0.50) FYNMET
SCHEMBL11392856 0.77 MET (0.61) FYNMETKDM4EHSD17B10CYP1A2
SCHEMBL102704 0.73 FYN (0.87) FYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507489-B2 Bicyclic triazoles as protein kinase modulators SGX PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
EP-2084162-B1 BICYCLIC TRIAZOLES AS PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS INC (US) 2012-09-12 EP disclosed
US-20090258855-A1 BICYCLIC TRIAZOLES AS PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. 2009-10-15 US 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-20090258855-A1 BICYCLIC TRIAZOLES AS PROTEIN KINASE MODULATORS MAP3K20, TTK, PRKACB FYN 604/4885MET 1052/4885KDM4E 1566/4885

“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.