SCHEMBL2735324

SCHEMBL2735324

Cc1ccc(NC(=O)c2nc[nH]c2C(=O)NCc2nc3ccccc3[nH]2)c(C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
KMT2A Q03164 4/20 0.56
KDM4E B2RXH2 3/20 0.56
MEN1 O00255 3/20 0.56
MAPT P10636 3/20 0.56
HTT P42858 2/20 0.56
MAPK1 P28482 1/20 0.56
HSD17B10 Q99714 1/20 0.56
SMN1; SMN2 Q16637 6/20 0.51
GAA P10253 3/20 0.48
PTGS2 P35354 1/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
HPGD P15428 1/20 0.47
AHR P35869 1/20 0.47
RECQL P46063 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PKM P14618 1/20 0.47
SLC40A1 Q9NP59 3/20 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
SCHEMBL2759942 0.85 NPC1 (0.54) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL213157 0.83 MAPT (0.80) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL214875 0.80 ALDH1A1 (0.60) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL2735326 0.78 NPC1 (0.50) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL215174 0.78 KMT2A (0.47) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL2735385 0.77 NPC1 (0.54) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL14222343 0.77 MAPT (0.50) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL216711 0.77 ALDH1A1 (0.64) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL214896 0.76 NPC1 (0.52) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL214010 0.76 ALDH1A1 (0.63) ALDH1A1KMT2AKDM4EMEN1MAPT

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 5 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-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
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 WO 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 ALDH1A1 4295/4885KMT2A 437/4885KDM4E 952/4885

“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.