SCHEMBL1166536

SCHEMBL1166536

CCOC(=O)c1nc(Cn2cc(N)cn2)cs1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 2/20 0.46
JAK2 O60674 1/20 0.46
JAK3 P52333 1/20 0.46
KLKB1 P03952 6/20 0.45
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 2/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
GSK3B P49841 1/20 0.39
P2RX3 P56373 1/20 0.37
TYK2 P29597 1/20 0.36
TSHR P16473 1/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.36
GRM2 Q14416 1/20 0.35

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
SCHEMBL27828584 0.82 KLKB1 (0.44) KLKB1MEN1KMT2AALDH1A1MAPT
SCHEMBL1166952 0.82 CYP1A2 (0.46) JAK1JAK2JAK3MEN1KMT2A
SCHEMBL7406263 0.75 ALDH1A1 (0.49) JAK1JAK2JAK3MEN1KMT2A
SCHEMBL2594514 0.74 ALDH1A1 (0.48) JAK1JAK2JAK3MEN1KMT2A
SCHEMBL1934767 0.74 GSK3B (0.48) JAK1JAK2JAK3MEN1KMT2A
SCHEMBL15110981 0.73 ALDH1A1 (0.47) JAK1JAK2JAK3MEN1KMT2A
SCHEMBL1166944 0.73 JAK2 (0.44) JAK1JAK2JAK3MEN1KMT2A
SCHEMBL15111012 0.72 ALDH1A1 (0.46) JAK1JAK2JAK3MEN1KMT2A
SCHEMBL855435 0.72 SMN1; SMN2 (0.46) JAK1JAK2JAK3MEN1KMT2A
SCHEMBL4721794 0.72 ALDH1A1 (0.46) JAK1JAK2JAK3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2242743-B1 AMINOPYRAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-08-21 EP disclosed
US-8288419-B2 Aminopyrazole derivatives ACTELION PHARMACEUTICALS, LTD (CH) 2012-10-16 US disclosed
US-20110034516-A1 AMINOPYRAZOLE DERIVATIVES ACTELION (CH) 2011-02-10 US disclosed
EP-2242743-A1 AMINOPYRAZOLE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-10-27 EP disclosed
WO-2009077954-A1 AMINOPYRAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-06-25 WO 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-20110034516-A1 AMINOPYRAZOLE DERIVATIVES CYP3A43, CYP1A2, CYP3A5 JAK1 785/4885JAK2 715/4885JAK3 372/4885

“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.