SCHEMBL213324

SCHEMBL213324

NC(=O)c1[nH]cnc1C(=O)N(c1nc2ccccc2[nH]1)c1ccc(OCCN2CCOCC2)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.46
JAK2 O60674 1/20 0.44
PDGFRB P09619 2/20 0.43
PDGFRA P16234 1/20 0.43
FGFR1 P11362 1/20 0.43
KDR P35968 1/20 0.43
ACHE P22303 4/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
DRD3 P35462 5/20 0.40
DRD2 P14416 3/20 0.40
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
PRKAB2 O43741 1/20 0.38
PRKAG1 P54619 1/20 0.38
PRKAA2 P54646 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAG3 Q9UGI9 1/20 0.38
PRKAG2 Q9UGJ0 1/20 0.38
PRKAB1 Q9Y478 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
SCHEMBL215286 0.92 LTA4H (0.46) LTA4HJAK2PDGFRBPDGFRAFGFR1
SCHEMBL214317 0.88 LTA4H (0.41) LTA4HPDGFRBPDGFRAFGFR1KDR
SCHEMBL214094 0.86 DRD3 (0.40) LTA4HDRD3DRD2CHEK2
SCHEMBL216429 0.80 MEN1 (0.36) LTA4HALDH1A1DRD3DRD2CHEK2
Hydrochloric Acid SCHEMBL214533 0.80 MEN1 (0.36) LTA4HALDH1A1DRD3DRD2CHEK2
SCHEMBL216608 0.79 CASR (0.46) LTA4HKDM4EALDH1A1TP53TSHR
SCHEMBL214647 0.78 POLB (0.38) FGFR1KDM4EALDH1A1NPC1CHEK2
SCHEMBL214367 0.77 FAAH (0.40) JAK2PDGFRBFGFR1KDRTP53
SCHEMBL214043 0.76 POLB (0.47) KDM4EALDH1A1DRD3DRD2TP53
SCHEMBL215077 0.76 CHEK2 (0.46) FGFR1ACHEKDM4EALDH1A1DRD3

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 2740/4885JAK2 1/4885PDGFRB 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.