SCHEMBL4900829

SCHEMBL4900829

Cc1cc(N)n(C2CCS(=O)(=O)C2)n1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
KCNJ6 P48051 14/20 0.46
KCNJ3 P48549 14/20 0.46
KCNJ5 P48544 9/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL21847656 0.82 KCNJ6 (0.34) KCNJ6KCNJ3KCNJ5KDM4EALDH1A1
SCHEMBL15428754 0.80 KCNJ6 (0.47) KCNJ6KCNJ3KCNJ5
SCHEMBL1695151 0.79 KDM4E (0.47) MAPTKCNJ6KCNJ3KCNJ5KDM4E
SCHEMBL1695184 0.79 ALDH1A1 (0.44) KCNJ6KCNJ3KCNJ5KDM4EALDH1A1
SCHEMBL14785716 0.78 POLB (0.41) MAPTKDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL1695102 0.77 KDM4E (0.50) MAPTKCNJ6KCNJ3KCNJ5KDM4E
SCHEMBL11701379 0.77 MAPT (0.45) MAPTKCNJ6KCNJ3KCNJ5KDM4E
SCHEMBL1695005 0.74 GAA (0.54) KDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL12179262 0.73 MAPT (0.47) MAPTKCNJ6KCNJ3KCNJ5KDM4E
SCHEMBL12829947 0.72 MAPT (0.50) MAPTKCNJ6KCNJ3KCNJ5KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3478675-B1 HETEROAROMATIC DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-22 EP disclosed
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2016-08-25 US disclosed
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2014-04-17 US disclosed
US-8637526-B2 Pyrazolopyrimidine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2014-01-28 US disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 US disclosed
EP-1820504-A1 IMINE COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2007-08-22 EP 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 (3 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-20080312435-A1 Imine Compound CNR1, CNR2, HRH4 MAPT 4160/4885KCNJ6 428/4885KCNJ3 310/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 MAPT 4201/4885KCNJ6 1306/4885KCNJ3 1553/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 MAPT 4201/4885KCNJ6 1306/4885KCNJ3 1553/4885

“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.