SCHEMBL10221817

SCHEMBL10221817

CCOc1cccnc1C#N

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.49
GRM5 P41594 5/20 0.45
PLCG1 P19174 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
BRCA1 P38398 1/20 0.41
HBB P68871 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PDE5A O76074 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HTT P42858 1/20 0.38
PIP4K2A P48426 1/20 0.38

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
SCHEMBL11498598 0.83 PDE5A (0.45) PLCG1ALDH1A1LMNAMEN1KMT2A
SCHEMBL16238292 0.82 PLCG1 (0.43) PKMGRM5PLCG1ALDH1A1MAPT
SCHEMBL28263826 0.81 CYP11B1 (0.40) PKMGRM5PLCG1LMNACYP11B1
SCHEMBL27858859 0.81 CYP11B1 (0.40) PKMGRM5PLCG1CYP11B1
SCHEMBL1061776 0.81 CYP11B1 (0.40) PKMGRM5PLCG1ALDH1A1NPSR1
SCHEMBL3179011 0.81 PLCG1 (0.47) PKMGRM5PLCG1ALDH1A1LMNA
SCHEMBL8717539 0.81 PLCG1 (0.39) PKMGRM5PLCG1ALDH1A1CYP11B1
SCHEMBL22551784 0.81 USP8 (0.43) PLCG1ALDH1A1LMNAMEN1KMT2A
SCHEMBL12763772 0.81 PDE4A (0.44) PLCG1ALDH1A1PDE5ACYP11B1
SCHEMBL11459830 0.80 MAPT (0.50) PKMGRM5ALDH1A1LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8969383-B2 Picolinamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-03-03 US disclosed
US-20140296237-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2014-10-02 US disclosed
US-8809380-B2 Picolinamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2014-08-19 US disclosed
US-20120142691-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. 2012-06-07 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 (2 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-20120142691-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS CACNA1G, SCN3A, SCN5A PKM 3765/4885GRM5 285/4885PLCG1 2671/4885
US-20140296237-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS CACNA1G, SCN3A, SCN5A PKM 3765/4885GRM5 285/4885PLCG1 2671/4885

“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.