SCHEMBL4473468

SCHEMBL4473468

CCc1cccc(-c2cscn2)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.50
HCRTR1 O43613 3/20 0.45
HCRTR2 O43614 3/20 0.45
SCN9A Q15858 1/20 0.45
EGFR P00533 1/20 0.44
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
NISCH Q9Y2I1 1/20 0.42
BCL2 P10415 1/20 0.41
KAT6A Q92794 1/20 0.40
NOTUM Q6P988 1/20 0.40
PRMT6 Q96LA8 2/20 0.39
LRRK2 Q5S007 1/20 0.39
ABL1 P00519 1/20 0.39
RIN1 Q13671 1/20 0.39
PTGS2 P35354 1/20 0.37
GRK5 P34947 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
SCHEMBL28301620 0.83 SCN9A (0.45) HCRTR1HCRTR2SCN9AEGFRKAT6A
SCHEMBL4542718 0.83 PRKCI (0.53) HCRTR1HCRTR2SCN9AKAT6A
SCHEMBL7693404 0.81 TAAR1 (0.46) HCRTR1HCRTR2SCN9AEGFRKAT6A
SCHEMBL7855710 0.81 HCRTR1 (0.43) HCRTR1HCRTR2SCN9AEGFRKAT6A
SCHEMBL8233552 0.79 METAP2 (0.44)
SCHEMBL10151028 0.77 SCN9A (0.51) IDO1SCN9AEGFRKAT6AGRK5
SCHEMBL30989356 0.77 SCN9A (0.51) IDO1SCN9AEGFRKAT6AGRK5
SCHEMBL5322690 0.75 RAB9A (0.54) IDO1SCN9AEGFRKAT6A
SCHEMBL4536161 0.75 TP53 (0.49) KAT6A
SCHEMBL10272458 0.75 SREBF2 (0.48) SCN9AEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-03 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-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK IDO1 940/4885HCRTR1 3155/4885HCRTR2 3766/4885

“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.