SCHEMBL5385474

SCHEMBL5385474

Cc1cccc(Nc2n[nH]c(SCc3ccsc3)n2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.40
CDK2 P24941 2/20 0.39
SRC P12931 1/20 0.39
ZAP70 P43403 1/20 0.39
SYK P43405 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
RECQL P46063 1/20 0.39
GAA P10253 3/20 0.38
AURKA O14965 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPT P10636 2/20 0.37
GRM4 Q14833 1/20 0.37
NOD1 Q9Y239 1/20 0.37
POLB P06746 1/20 0.36
CCR4 P51679 1/20 0.36
CDK1 P06493 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
SCHEMBL5384643 0.86 METAP2 (0.43) NFKB1MEN1KMT2ARECQLGAA
SCHEMBL5396780 0.86 GAA (0.47) NFKB1MEN1KMT2AGAANPC1
SCHEMBL5376637 0.85 METAP2 (0.46) NFKB1MEN1KMT2ARECQLGAA
SCHEMBL5382611 0.82 AURKA (0.44) NFKB1CDK2MEN1KMT2ARECQL
SCHEMBL7089907 0.82 NFKB1 (0.43) NFKB1CDK2SRCZAP70SYK
SCHEMBL5379154 0.81 METAP2 (0.50) NFKB1CDK2SRCZAP70SYK
SCHEMBL5385452 0.80 CDK2 (0.44) NFKB1CDK2SRCZAP70SYK
SCHEMBL5373642 0.80 LMNA (0.46) NFKB1MEN1KMT2AGAANPC1
SCHEMBL5376587 0.80 MEN1 (0.41) NFKB1CDK2SRCZAP70SYK
SCHEMBL5377268 0.80 METAP2 (0.51) NFKB1CDK2MEN1KMT2ARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7304082-B2 1,2,4-triazole derivatives, compositions, process of making and methods of use SMITHKLINE BEECHAM CORPORATION (US) 2007-12-04 US disclosed
US-20050267185-A1 1,2,4-triazole derivatives, compositions, process of making and methods of use SMITHKLINE BEECHAM CORPORATION 2005-12-01 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-20050267185-A1 1,2,4-triazole derivatives, compositions, process of making and methods of use METAP2, METAP1, DNPEP NFKB1 3393/4885CDK2 837/4885SRC 3595/4885

“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.