SCHEMBL400998

SCHEMBL400998

Nc1nn2ccc(S(=O)(=O)c3ccccc3)nc2c1C(=O)NC1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ USP2 O75604 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ EPHX2 P34913 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA4 P22748 1/20 0.43
▸ CA6 P23280 1/20 0.43
▸ CA5A P35218 1/20 0.43
▸ CA7 P43166 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ CA13 Q8N1Q1 1/20 0.43
▸ CA14 Q9ULX7 1/20 0.43
▸ CA5B Q9Y2D0 1/20 0.43
▸ PTGS2 P35354 1/20 0.42

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
SCHEMBL20119453 0.81 HSD11B1 (0.54) KMT2AUSP2MAPTCASP1HSD17B10
SCHEMBL20119118 0.73 HSD11B1 (0.54) PIK3CDPIK3CAPIK3CG
SCHEMBL21579864 0.69 NTRK1 (0.67) —
SCHEMBL400996 0.65 JAK2 (0.55) ALDH1A1FPR1POLB
SCHEMBL16718795 0.64 JAK2 (0.47) ALDH1A1PIK3CDPIK3CAPIK3CG
SCHEMBL16729326 0.64 JAK2 (0.44) ALDH1A1PIK3CDPIK3CAPIK3CG
SCHEMBL18817179 0.64 SMPD3 (0.52) HSD17B10POLB
SCHEMBL20119112 0.63 SMPD3 (0.47) —
SCHEMBL405286 0.63 JAK2 (0.55) FPR1
SCHEMBL16718807 0.63 JAK2 (0.45) ALDH1A1PIK3CDPIK3CAPIK3CGMAPK1

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-8637526-B2 Pyrazolopyrimidine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2014-01-28 — — US disclosed
US-20120022043-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2012-01-26 — — 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-20120022043-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 HTT 4391/4885KMT2A 1030/4885USP2 2142/4885

“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.

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