SCHEMBL6408014

SCHEMBL6408014

Clc1ccc(CSc2nnc(-c3ccncc3)n2-c2ccccc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.71
CYP2C9 P11712 1/20 0.71
TERT O14746 1/20 0.69
PTK2 Q05397 5/20 0.68
HDAC1 Q13547 2/20 0.68
HDAC2 Q92769 2/20 0.68
HDAC8 Q9BY41 2/20 0.68
HDAC6 Q9UBN7 2/20 0.68
HDAC3 O15379 1/20 0.68
HTT P42858 2/20 0.67
LMNA P02545 2/20 0.67
METAP2 P50579 1/20 0.64
ALDH1A1 P00352 2/20 0.60
RGS12 O14924 1/20 0.60
MAPT P10636 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
TP53 P04637 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
KDM4E B2RXH2 1/20 0.60
MEN1 O00255 1/20 0.60

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) CYP3A4CYP2C9TERTPTK2HDAC1
SCHEMBL6402486 0.89 CYP3A4 (0.72) CYP3A4CYP2C9TERTPTK2HDAC1
SCHEMBL6407146 0.87 PTK2 (0.69) CYP3A4CYP2C9TERTPTK2HDAC1
SCHEMBL16486434 0.85 CYP3A4 (0.57) CYP3A4CYP2C9TERTPTK2HDAC1
SCHEMBL6408279 0.84 CYP3A4 (0.80) CYP3A4CYP2C9PTK2HDAC1HDAC2
SCHEMBL6404838 0.83 CYP3A4 (0.78) CYP3A4CYP2C9TERTPTK2HDAC1
SCHEMBL6405467 0.83 PTK2 (0.64) CYP3A4CYP2C9TERTPTK2HDAC1
SCHEMBL6212432 0.81 LMNA (0.80) PTK2HTTLMNAALDH1A1RGS12
SCHEMBL6403463 0.80 CYP3A4 (0.73) CYP3A4CYP2C9PTK2HDAC1HDAC2
SCHEMBL6404779 0.80 SMN1; SMN2 (0.80) PTK2HDAC1HDAC2HDAC8HDAC6

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 128/4885TERT 198/4885

“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.