SCHEMBL213971

SCHEMBL213971

NC(=O)c1[nH]cnc1C(=O)N(Cc1ccccc1)c1nc2ccccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.43
HTT P42858 3/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 4/20 0.37
GAA P10253 4/20 0.37
ALPL P05186 1/20 0.37
ALPI P09923 1/20 0.37
ALPG P10696 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPK1 P28482 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 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
SCHEMBL215700 0.92 SMN1; SMN2 (0.40) PAX8GAAL3MBTL1HSD17B10KDM4E
SCHEMBL213852 0.90 POLB (0.47) ALDH1A1L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL213584 0.88 CYP1A2 (0.38) PAX8HTTHPGDALDH1A1GAA
SCHEMBL213519 0.87 MEN1 (0.46) HTTHPGDALDH1A1HSD17B10KDM4E
SCHEMBL213720 0.86 ALDH1A1 (0.41) PAX8HTTHPGDALDH1A1KDM4E
SCHEMBL216144 0.84 SMN1; SMN2 (0.42) PAX8HTTHPGDALDH1A1HSD17B10
SCHEMBL215003 0.83 SMN1; SMN2 (0.37) HTTHPGDALDH1A1GAAL3MBTL1
SCHEMBL213907 0.82 NPC1 (0.41) PAX8ALDH1A1L3MBTL1KDM4ENPC1
SCHEMBL216608 0.78 CASR (0.46) HTTHPGDALDH1A1GAAHSD17B10
SCHEMBL213708 0.78 HPGD (0.40) PAX8HTTHPGDALDH1A1GAA

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 PAX8 4790/4885HTT 1059/4885HPGD 3138/4885

“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.