SCHEMBL17429962

SCHEMBL17429962

CCc1cc2nc(OC=O)ccc2s1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.34
RAB9A P51151 7/20 0.34
MAPK1 P28482 2/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 5/20 0.33
HDAC6 Q9UBN7 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 2/20 0.32
PKM P14618 3/20 0.32
NFKB1 P19838 2/20 0.32
NFKB2 Q00653 2/20 0.32
RELA Q04206 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CA2 P00918 1/20 0.31
KMT2A Q03164 3/20 0.31
MEN1 O00255 1/20 0.31
HPGD P15428 3/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL17429956 0.89 PIM2 (0.33) NPC1RAB9ASMN1; SMN2HSD17B10PKM
SCHEMBL17417271 0.70 NPC1 (0.46) NPC1RAB9AMAPK1SMN1; SMN2HDAC6
SCHEMBL17429941 0.68 CYP2A6 (0.37)
SCHEMBL17429953 0.66 MEN1 (0.39) NPC1RAB9AGAAALDH1A1HSD17B10
SCHEMBL30747343 0.65 SMN1; SMN2 (0.51) NPC1RAB9AMAPK1GAASMN1; SMN2
SCHEMBL12044609 0.64 CYP2A6 (0.47) ALDH1A1
SCHEMBL19986324 0.64 CYP1A2 (0.52) NPC1RAB9AGAASMN1; SMN2ALDH1A1
SCHEMBL12044719 0.63 ALOX5 (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL31731087 0.62 SMN1; SMN2 (0.55) NPC1RAB9AGAASMN1; SMN2ALDH1A1
SCHEMBL27334856 0.62 ALDH1A1 (0.35) NPC1RAB9AMAPK1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9822124-B2 Bicyclic heteroaromatic carboxamide compounds useful as Pim kinase inhibitors INCYTE CORPORATION (US) 2017-11-21 US disclosed
US-20160009726-A1 BICYCLIC HETEROAROMATIC CARBOXAMIDE COMPOUNDS USEFUL AS PIM KINASE INHIBITORS INCYTE CORPORATION 2016-01-14 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-20160009726-A1 BICYCLIC HETEROAROMATIC CARBOXAMIDE COMPOUNDS USEFUL AS PIM KINASE INHIBITORS PIM1, PIM2, PIM3 NPC1 3148/4885RAB9A 3960/4885MAPK1 496/4885

“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.