SCHEMBL213526

SCHEMBL213526

CSc1ccccc1NC(=O)c1c(C(N)=O)ncn1-c1nc2ccccc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
TP53 P04637 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
ALDH1A1 P00352 4/20 0.38
ALOX15 P16050 3/20 0.38
MAPT P10636 1/20 0.38
CYP3A4 P08684 1/20 0.37
KDM4E B2RXH2 1/20 0.37
FPR2 P25090 1/20 0.37
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
PLK1 P53350 1/20 0.36

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
SCHEMBL214739 0.86 KMT2A (0.48) SMN1; SMN2NPC1RAB9ATP53KMT2A
SCHEMBL213248 0.86 LCK (0.41) SMN1; SMN2NPC1RAB9AKMT2ASIRT1
SCHEMBL213455 0.83 EGLN1 (0.42) SMN1; SMN2NPC1RAB9AKMT2ANPSR1
SCHEMBL216808 0.82 TP53 (0.42) SMN1; SMN2NPC1RAB9ATP53KMT2A
SCHEMBL214895 0.81 MAPT (0.41) SMN1; SMN2NPC1RAB9ATP53KMT2A
SCHEMBL216500 0.81 CACNA1G (0.45) SMN1; SMN2NPC1RAB9AKMT2ANPSR1
SCHEMBL213365 0.81 TP53 (0.52) SMN1; SMN2NPC1RAB9ATP53KMT2A
SCHEMBL214714 0.80 MAPT (0.44) SMN1; SMN2NPC1RAB9ATP53KMT2A
SCHEMBL214872 0.79 MAPT (0.42) SMN1; SMN2NPC1RAB9ATP53KMT2A
SCHEMBL214023 0.79 HDAC11 (0.40) KMT2ASIRT1ALDH1A1CYP3A4KDM4E

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
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP claimed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 WO 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 SMN1; SMN2 2516/4885NPC1 3307/4885RAB9A 2213/4885

“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.