SCHEMBL805580

SCHEMBL805580

Cc1nc(NC(C)C)c2ccsc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.50
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KMT2A Q03164 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 1/20 0.42
RAB9A P51151 2/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
TNF P01375 1/20 0.41
NOD1 Q9Y239 1/20 0.41
MEN1 O00255 2/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
GGPS1 O95749 6/20 0.40
FDPS P14324 3/20 0.40
USP2 O75604 1/20 0.39
CXCR2 P25025 1/20 0.37

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
SCHEMBL801619 0.82 ELANE (0.49) ELANEMAPK1HSD17B10L3MBTL1KMT2A
SCHEMBL12736701 0.81 MAPK1 (0.49) ELANEMAPK1HSD17B10L3MBTL1KMT2A
SCHEMBL12619543 0.80 ELANE (0.47) ELANEKMT2ARAB9AALDH1A1TNF
SCHEMBL9533820 0.76 ELANE (0.44) ELANERAB9ATNFNOD1LMNA
SCHEMBL11198291 0.75 GGPS1 (0.53) ELANEMAPK1HSD17B10L3MBTL1KMT2A
SCHEMBL11413904 0.75 RAB9A (0.68) KMT2ARAB9ATNFNOD1MEN1
SCHEMBL19523193 0.74 MAPK1 (0.49) ELANEMAPK1HSD17B10L3MBTL1KMT2A
SCHEMBL12510645 0.73 PDE4B (0.46) KMT2AMEN1LMNAHTTCXCR2
SCHEMBL3445188 0.72 MAPK1 (0.54) ELANEMAPK1HSD17B10L3MBTL1KMT2A
SCHEMBL20665370 0.72 GGPS1 (0.42) ELANEKMT2ARAB9ATNFNOD1

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-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-22 US disclosed
US-20100256170-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-07 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 (2 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-20100256170-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, CDK3, GSK3A ELANE 4863/4885MAPK1 519/4885HSD17B10 2364/4885
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 ELANE 4731/4885MAPK1 424/4885HSD17B10 3806/4885

“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.