SCHEMBL6404838

SCHEMBL6404838

Fc1ccc(-n2c(SCc3ccccc3)nnc2-c2ccncc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.78
CYP2C9 P11712 1/20 0.78
PTK2 Q05397 3/20 0.69
TERT O14746 2/20 0.65
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
HDAC3 O15379 1/20 0.62
HDAC1 Q13547 1/20 0.62
HDAC2 Q92769 1/20 0.62
HDAC8 Q9BY41 1/20 0.62
HDAC6 Q9UBN7 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.58
METAP2 P50579 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
ALDH1A1 P00352 3/20 0.58
LMNA P02545 2/20 0.58
TSHR P16473 1/20 0.57
MAPK1 P28482 1/20 0.57
HTT P42858 1/20 0.57
KDM4E B2RXH2 1/20 0.57

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
SCHEMBL6410759 0.91 CYP3A4 (0.83) CYP3A4CYP2C9PTK2TERTMEN1
SCHEMBL6408279 0.89 CYP3A4 (0.80) CYP3A4CYP2C9PTK2MEN1KMT2A
SCHEMBL16486457 0.87 PTK2 (0.61) CYP3A4CYP2C9PTK2TERTMEN1
SCHEMBL6403463 0.85 CYP3A4 (0.73) CYP3A4CYP2C9PTK2MEN1KMT2A
SCHEMBL6402486 0.84 CYP3A4 (0.72) CYP3A4CYP2C9PTK2TERTMEN1
SCHEMBL6408014 0.83 CYP3A4 (0.71) CYP3A4CYP2C9PTK2TERTMEN1
SCHEMBL6407146 0.80 PTK2 (0.69) CYP3A4CYP2C9PTK2TERTMEN1
SCHEMBL29020535 0.80 TERT (0.58) CYP3A4CYP2C9PTK2TERTMEN1
SCHEMBL6210228 0.78 MAPT (0.71) PTK2L3MBTL1ALDH1A1LMNA
SCHEMBL13831342 0.78 MAPT (0.75) PTK2ALDH1A1LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof AGRIUS GROUP, LLC. 2005-12-29 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-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof ABCG2, ATP5ME, DNTT CYP3A4 25/4885CYP2C9 128/4885PTK2 4627/4885

“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.