SCHEMBL214146

SCHEMBL214146

Cc1ccc(-n2cnc(C(N)=O)c2C(=O)Nc2nc3ccccc3n2C)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
NR1I2 O75469 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
KDM4E B2RXH2 5/20 0.43
HSD17B10 Q99714 4/20 0.43
TP53 P04637 4/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 4/20 0.42
HPGD P15428 3/20 0.42
GAA P10253 2/20 0.42
GFER P55789 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PDE11A Q9HCR9 1/20 0.41
PDE10A Q9Y233 1/20 0.41
MAP3K7 O43318 1/20 0.41
TSHR P16473 3/20 0.41
HTT P42858 3/20 0.41
LMNA P02545 2/20 0.41

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
SCHEMBL216647 0.77 NPC1 (0.54) NPC1RAB9ASMN1; SMN2HSD17B10ALDH1A1
SCHEMBL213156 0.76 LMNA (0.46) NPC1RAB9ATP53ALDH1A1MAPT
SCHEMBL216596 0.75 PTGES (0.38) KDM4EHSD17B10TP53ALDH1A1MAPT
SCHEMBL214874 0.74 RAB9A (0.50) NPC1RAB9ASMN1; SMN2KDM4ETP53
SCHEMBL216150 0.74 PRKCI (0.50) NPC1RAB9AMAPT
SCHEMBL216710 0.70 MMP13 (0.45) NPC1RAB9AKDM4EHSD17B10TP53
SCHEMBL216399 0.70 LMNA (0.45) SMN1; SMN2ALDH1A1MEN1KMT2ALMNA
SCHEMBL19662758 0.70 RAB9A (0.75) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL214147 0.69 GAA (0.51) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL215040 0.69 MEN1 (0.40) NPC1RAB9ASMN1; SMN2TP53ALDH1A1

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-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US claimed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US claimed
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 2213/4885NR1I2 2572/4885

“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.