SCHEMBL18643148

SCHEMBL18643148

CCC(=O)Nc1ccc(C#N)nn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41
MAPT P10636 3/20 0.40
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PGR P06401 1/20 0.39
HTT P42858 1/20 0.39
ADORA3 P0DMS8 6/20 0.38
ADORA1 P30542 3/20 0.38
ADORA2B P29275 2/20 0.38
ADORA2A P29274 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
P2RX3 P56373 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL4425197 0.84 HSD17B10 (0.47) HSD17B10SMN1; SMN2NPC1RAB9ATP53
SCHEMBL18642986 0.81 PTK2 (0.46)
SCHEMBL5598367 0.77 L3MBTL1 (0.43) SMN1; SMN2NPC1RAB9ATP53MAPT
SCHEMBL18642987 0.77 ADORA2A (0.43) SMN1; SMN2NPC1RAB9ATP53MAPT
SCHEMBL30071320 0.76 USP30 (0.54) HSD17B10SMN1; SMN2NPC1RAB9ATP53
SCHEMBL18838871 0.76 USP30 (0.54) HSD17B10SMN1; SMN2NPC1RAB9ATP53
SCHEMBL18426942 0.76 SMN1; SMN2 (0.47) HSD17B10SMN1; SMN2NPC1RAB9ATSHR
SCHEMBL30071321 0.76 SORT1 (0.46) HSD17B10SMN1; SMN2NPC1RAB9ATP53
SCHEMBL10770157 0.75 MAPT (0.46) HSD17B10SMN1; SMN2NPC1RAB9ATP53
SCHEMBL21501897 0.75 GLS (0.48) HSD17B10SMN1; SMN2NPC1RAB9ATP53

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
WO-2017044434-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-03-16 WO disclosed
US-20170073334-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-03-16 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-20170073334-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE PRKACA, PRKDC, PRKACB HSD17B10 1195/4885SMN1; SMN2 830/4885NPC1 217/4885

“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.