SCHEMBL16447995

SCHEMBL16447995

Nc1ccc(N2CCN(C3CCS(=O)(=O)CC3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
KMT2A Q03164 5/20 0.50
GFER P55789 4/20 0.50
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 4/20 0.50
GAA P10253 3/20 0.50
ADRA2C P18825 1/20 0.50
PTK2B Q14289 1/20 0.50
ESR2 Q92731 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.46
LMNA P02545 3/20 0.46
HTT P42858 2/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL3 Q96JM7 1/20 0.46
CASP6 P55212 1/20 0.44
MEN1 O00255 3/20 0.43
NPC1 O15118 1/20 0.43
USP2 O75604 1/20 0.43
TP53 P04637 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
SCHEMBL17840362 0.91 SMN1; SMN2 (0.51) MAPTKMT2AGFERALDH1A1KDM4E
SCHEMBL1045480 0.85 L3MBTL1 (0.58) MAPTKMT2AGFERALDH1A1KDM4E
SCHEMBL5743020 0.85 L3MBTL1 (0.58) MAPTKMT2AGFERALDH1A1KDM4E
SCHEMBL1047477 0.85 MAPT (0.57) MAPTKMT2AGFERALDH1A1KDM4E
SCHEMBL1044237 0.83 MAPT (0.58) MAPTKMT2AGFERALDH1A1KDM4E
Hydrochloric Acid SCHEMBL16764224 0.83 MAPT (0.57) MAPTKMT2AGFERALDH1A1KDM4E
SCHEMBL156523 0.81 MAPT (0.68) MAPTKMT2AGFERALDH1A1KDM4E
SCHEMBL175496 0.79 KDM4E (0.59) MAPTKMT2AGFERALDH1A1KDM4E
SCHEMBL22466041 0.79 L3MBTL1 (0.59) MAPTKMT2AGFERALDH1A1KDM4E
SCHEMBL16195572 0.79 MAPT (0.50) MAPTKMT2AGFERALDH1A1KDM4E

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
US-9556148-B2 N-cyanomethylamides as inhibitors of janus kinase CADILA HEALTHCARE LIMITED (IN) 2017-01-31 US disclosed
EP-3030561-B1 N-CYANOMETHYLAMIDES AS INHIBITORS OF JANUS KINASE CADILA HEALTHCARE LTD (IN) 2017-01-11 EP disclosed
US-20160176849-A1 N-CYANOMETHYLAMIDES AS INHIBITORS OF JANUS KINASE CADILA HEALTHCARE LIMITED (IN) 2016-06-23 US disclosed
EP-3030561-A1 N-CYANOMETHYLAMIDES AS INHIBITORS OF JANUS KINASE Cadila Healthcare Limited (IN) 2016-06-15 EP disclosed
WO-2015019365-A1 N-CYANOMETHYLAMIDES AS INHIBITORS OF JANUS KINASE CADILA HEALTHCARE LIMITED (IN) 2015-02-12 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-20160176849-A1 N-CYANOMETHYLAMIDES AS INHIBITORS OF JANUS KINASE JAK1, JAK3, JAK2 MAPT 3232/4885KMT2A 1596/4885GFER 3474/4885

“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.