SCHEMBL4458883

SCHEMBL4458883

O=C(Nc1ccccn1)c1ccc2c(c1)c1c(=O)[nH]ccc1c1[nH]c(C3CCCC3)nc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.42
NPC1 O15118 5/20 0.42
TDP1 Q9NUW8 1/20 0.42
GRM5 P41594 2/20 0.41
NSD2 O96028 1/20 0.41
RPS6KA3 P51812 1/20 0.39
RPS6KA2 Q15349 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
PKM P14618 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK14 Q16539 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
KDM4E B2RXH2 2/20 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
SCHEMBL3622686 0.87 RAB9A (0.47) RAB9ANPC1SMN1; SMN2PKMALDH1A1
SCHEMBL3617138 0.83 IMPDH2 (0.42) SMN1; SMN2ALDH1A1MAPT
SCHEMBL3625972 0.82 JAK2 (0.38) RPS6KA3GSK3BMAPK14
SCHEMBL14373980 0.81 CHEK1 (0.40) NPC1RPS6KA3GSK3BMAPK14ALDH1A1
SCHEMBL3613483 0.80 PARP1 (0.42) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL3622445 0.79 ALDH1A1 (0.41) RAB9ANPC1RPS6KA3GSK3BSMN1; SMN2
SCHEMBL3619318 0.79 CHEK1 (0.51) KMT2AALDH1A1KDM4E
SCHEMBL3618943 0.78 HPGD (0.43) RAB9ANPC1RPS6KA3SMN1; SMN2MEN1
SCHEMBL3620214 0.78 HTR2B (0.40) RAB9ARPS6KA3SMN1; SMN2MAPK14ALDH1A1
SCHEMBL3618920 0.76 JAK2 (0.42) BTK

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-20090306071-A1 Inhibitors of Janus Kinases MERCK SHARP & DOHME LLC 2009-12-10 US claimed

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-20090306071-A1 Inhibitors of Janus Kinases JAK2, JAK3, JAK1 RAB9A 2622/4885NPC1 3197/4885TDP1 1401/4885

“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.