SCHEMBL3758694

SCHEMBL3758694

Nc1cc(CN2CCS(=O)(=O)CC2)cc2cc(-c3ccccc3)n(C3CCNCC3)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 3/20 0.39
DRD4 P21917 8/20 0.37
DRD2 P14416 7/20 0.37
DRD3 P35462 6/20 0.37
JAK2 O60674 2/20 0.36
TYK2 P29597 2/20 0.36
STK10 O94804 1/20 0.36
ABL1 P00519 1/20 0.36
CYP1A2 P05177 1/20 0.36
CSF1R P07333 1/20 0.36
FLT1 P17948 1/20 0.36
CYP2C19 P33261 1/20 0.36
FLT4 P35916 1/20 0.36
FLT3 P36888 1/20 0.36
STAT1 P42224 1/20 0.36
IRAK1 P51617 1/20 0.36
JAK3 P52333 1/20 0.36
MAPK10 P53779 1/20 0.36
KCNH2 Q12809 1/20 0.36
MERTK Q12866 1/20 0.36

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
SCHEMBL17554234 0.89 JAK1 (0.39) JAK1DRD4DRD2DRD3JAK2
SCHEMBL3729429 0.76 JAK2 (0.40) JAK1DRD4DRD2DRD3JAK2
SCHEMBL3433366 0.71 JAK1 (0.40) JAK1DRD4DRD2DRD3CYP1A2
SCHEMBL29384916 0.71 JAK1 (0.40) JAK1DRD4DRD2DRD3CYP1A2
SCHEMBL3724725 0.70 JAK2 (0.39) JAK1JAK2OPRM1OPRK1OPRD1
SCHEMBL3415437 0.68 VCP (0.40) DRD4DRD2DRD3CYP2C19KCNH2
SCHEMBL27808389 0.67 ADORA2B (0.37) DRD4DRD2DRD3CYP2C19LMNA
SCHEMBL2995349 0.67 VCP (0.37) DRD4DRD2DRD3CSF1R
SCHEMBL16136133 0.65 KMT2A (0.46) DRD3SIGMAR1
SCHEMBL29113489 0.65 JAK1 (0.38) JAK1DRD4DRD2DRD3JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2230238-B1 INDOLE AND INDAZOLE DERIVATIVES HAVING A CELL-, TISSUE- AND ORGAN-PRESERVING EFFECT LG LIFE SCIENCES LTD (KR) 2013-12-11 EP claimed
US-20100291533-A1 INDOLE AND INDAZOLE DERIVATIVES HAVING A CELL-, TISSUE- AND ORGAN-PRESERVING EFFECT LG LIFE SCIENCES LTD. (KR) 2010-11-18 US claimed
US-20100291533-A1 INDOLE AND INDAZOLE DERIVATIVES HAVING A CELL-, TISSUE- AND ORGAN-PRESERVING EFFECT LG LIFE SCIENCES LTD. (KR) 2010-11-18 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-20100291533-A1 INDOLE AND INDAZOLE DERIVATIVES HAVING A CELL-, TISSUE- AND ORGAN-PRESERVING EFFECT IDO1, IDO2, INMT JAK1 279/4885DRD4 3764/4885DRD2 2540/4885

“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.