SCHEMBL213323

SCHEMBL213323

NC(=O)c1c(C(=O)Nc2ccc(OCCN3CCOCC3)cc2Cl)ncn1-c1nc2ccccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.46
EPHX2 P34913 1/20 0.45
PDGFRB P09619 2/20 0.43
PDGFRA P16234 1/20 0.43
AURKB Q96GD4 4/20 0.43
JAK2 O60674 1/20 0.42
FGFR1 P11362 2/20 0.42
HDAC1 Q13547 2/20 0.42
KDR P35968 1/20 0.42
ACHE P22303 1/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
SRC P12931 1/20 0.40
EGFR P00533 1/20 0.40
TP53 P04637 2/20 0.39
BRD4 O60885 1/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL215285 0.92 LTA4H (0.46) LTA4HPDGFRBPDGFRAFGFR1HDAC1
SCHEMBL214316 0.89 BTK (0.42) LTA4HEPHX2PDGFRBPDGFRAFGFR1
SCHEMBL214093 0.85 DRD3 (0.40) HDAC1HPGD
SCHEMBL216182 0.83 DRD3 (0.41) LTA4H
Hydrochloric Acid SCHEMBL215262 0.82 ITGB3 (0.41) LTA4H
SCHEMBL214113 0.80 DDR2 (0.42) LTA4HKDM4EALDH1A1TP53NPC1
SCHEMBL216607 0.80 TSHR (0.51) KDM4EALDH1A1TP53NPC1HPGD
SCHEMBL214646 0.79 EPHB3 (0.44) KDM4EALDH1A1TSHR
SCHEMBL13320382 0.79 LTA4H (0.46) LTA4HEPHX2PDGFRBPDGFRAAURKB
SCHEMBL216428 0.79 ITGB3 (0.38) LTA4HALDH1A1

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 LTA4H 2740/4885EPHX2 2115/4885PDGFRB 228/4885

“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.