SCHEMBL213329

SCHEMBL213329

CS(=O)(=O)c1ccccc1NC(=O)c1ncn(-c2nc3ccccc3[nH]2)c1C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
PABPC1 P11940 1/20 0.38
EIF4H Q15056 1/20 0.38
HDAC1 Q13547 2/20 0.37
STK33 Q9BYT3 5/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 1/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
NTSR1 P30989 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
SCHEMBL214714 0.87 MAPT (0.44) KMT2ARAB9ANPC1KDM4EALDH1A1
SCHEMBL214272 0.86 KDM4E (0.39) KMT2ARAB9ANPC1HDAC1STK33
SCHEMBL213503 0.86 STK33 (0.39) KMT2ARAB9ANPC1HDAC1STK33
SCHEMBL214872 0.85 MAPT (0.42) KMT2ARAB9ANPC1HDAC1KDM4E
SCHEMBL214646 0.85 EPHB3 (0.44) KMT2ASTK33KDM4EALDH1A1CYP3A4
SCHEMBL215595 0.84 ALDH1A1 (0.46) KMT2ARAB9ANPC1KDM4EALDH1A1
SCHEMBL216074 0.84 KDM4E (0.43) KMT2ARAB9ANPC1KDM4EALDH1A1
SCHEMBL215644 0.84 KDM4E (0.41) KMT2ARAB9ANPC1HDAC1KDM4E
SCHEMBL214789 0.83 KDM4E (0.47) KMT2ASTK33KDM4EALDH1A1MEN1
SCHEMBL213795 0.83 HSD17B10 (0.49) KMT2AKDM4EALDH1A1MEN1LMNA

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 KMT2A 437/4885RAB9A 2213/4885NPC1 3307/4885

“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.