SCHEMBL215112

SCHEMBL215112

NC(=O)c1c(C(=O)Nc2ccccc2Cl)ncn1-c1nc2ccccc2s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.45
RAB9A P51151 6/20 0.45
KDM4E B2RXH2 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALOX5 P09917 3/20 0.42
EPHX2 P34913 3/20 0.42
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 4/20 0.39
GPX4 P36969 1/20 0.39
MEN1 O00255 3/20 0.39
CASP3 P42574 2/20 0.39
SENP8 Q96LD8 2/20 0.39
SENP7 Q9BQF6 2/20 0.39
SENP6 Q9GZR1 2/20 0.39
EPHB3 P54753 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 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
SCHEMBL213206 0.83 TP53 (0.51) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL214646 0.78 EPHB3 (0.44) KDM4ESMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL214450 0.71 LMNA (0.54) NPC1RAB9AKDM4ESMN1; SMN2MAPT
SCHEMBL215203 0.69 STK33 (0.40) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL214976 0.68 LCK (0.44) NPC1RAB9AKDM4ESMN1; SMN2MAPT
SCHEMBL2735322 0.67 NPC1 (0.53) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL214042 0.66 MAPT (0.43) NPC1RAB9AKDM4ESMN1; SMN2MAPT
SCHEMBL214714 0.66 MAPT (0.44) NPC1RAB9AKDM4ESMN1; SMN2MAPT
SCHEMBL21568165 0.66 KMT2A (0.67) NPC1RAB9AKDM4ESMN1; SMN2ALOX5
SCHEMBL215644 0.65 KDM4E (0.41) NPC1RAB9AKDM4ESMN1; SMN2MAPT

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 6 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
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP 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 NPC1 3307/4885RAB9A 2213/4885KDM4E 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.