SCHEMBL2735344

SCHEMBL2735344

O=C(Nc1c(Cl)cccc1Cl)c1nc[nH]c1C(=O)Nc1nc2ccccc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.52
RAB9A P51151 8/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
PKM P14618 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MAOB P27338 2/20 0.50
ADORA2A P29274 2/20 0.50
HPGD P15428 1/20 0.49
MAPK1 P28482 1/20 0.49
ALDH1A1 P00352 2/20 0.49
ADORA2B P29275 1/20 0.48
ADORA1 P30542 1/20 0.48
TP53 P04637 2/20 0.46
KDM4E B2RXH2 2/20 0.46
SCD O00767 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
OPRK1 P41145 1/20 0.46
KLF5 Q13887 1/20 0.46

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
SCHEMBL2759975 0.93 SMN1; SMN2 (0.50) NPC1RAB9AMEN1KMT2APKM
SCHEMBL2735347 0.93 NPC1 (0.53) NPC1RAB9AMEN1KMT2APKM
SCHEMBL2735356 0.89 IRAK4 (0.50) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL216809 0.87 RAB9A (0.52) NPC1RAB9AMEN1KMT2APKM
SCHEMBL2735343 0.87 NPC1 (0.58) NPC1RAB9AMEN1KMT2APKM
SCHEMBL2735283 0.87 SMN1; SMN2 (0.52) NPC1RAB9AMEN1KMT2APKM
SCHEMBL2735384 0.86 SMN1; SMN2 (0.47) NPC1RAB9AMEN1KMT2APKM
SCHEMBL213456 0.85 NPC1 (0.50) NPC1RAB9AMEN1KMT2APKM
SCHEMBL216501 0.85 RAB9A (0.53) NPC1RAB9AMEN1KMT2APKM
SCHEMBL2735378 0.85 RAB9A (0.60) NPC1RAB9AMEN1KMT2APKM

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-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 NPC1 3307/4885RAB9A 2213/4885MEN1 3504/4885

“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.