SCHEMBL214530

SCHEMBL214530

CCN(CC)CCOc1ccc2[nH]c(NC(=O)c3[nH]cnc3C(=O)Nc3c(Cl)cccc3Cl)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.49
KDR P35968 3/20 0.46
ABL1 P00519 1/20 0.46
EGFR P00533 1/20 0.46
PDGFRB P09619 1/20 0.46
KIT P10721 1/20 0.46
FGFR1 P11362 1/20 0.46
SRC P12931 1/20 0.46
BRAF P15056 1/20 0.46
EPHB4 P54760 1/20 0.46
TEK Q02763 1/20 0.46
LCK P06239 5/20 0.42
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
HIF1A Q16665 1/20 0.40
HDAC6 Q9UBN7 1/20 0.39
ALDH1A1 P00352 3/20 0.38
CHEK1 O14757 1/20 0.38
MAP4K4 O95819 1/20 0.38
CSF1R P07333 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
SCHEMBL14223125 0.89 MAPK1 (0.41) ABL1LMNAMAPK1HIF1AALDH1A1
SCHEMBL213580 0.86 LMNA (0.47) KDRABL1BRAFTEKLMNA
SCHEMBL214297 0.83 EPHX2 (0.44) HRH3BRAFALDH1A1KDM4ESMN1; SMN2
SCHEMBL214941 0.82 HDAC6 (0.41) KDRLCKLMNAMAPK1HIF1A
SCHEMBL216122 0.82 EPHX2 (0.43) LMNAMAPK1HIF1AALDH1A1KDM4E
SCHEMBL213876 0.79 EPHX2 (0.42) MEN1KMT2AMAPT
SCHEMBL2735344 0.78 NPC1 (0.52) LMNAMAPK1ALDH1A1MEN1KMT2A
SCHEMBL215460 0.78 LMNA (0.46) KDRABL1PDGFRBFGFR1SRC
SCHEMBL3992127 0.78 HRH2 (0.41) HRH3KDM4E
SCHEMBL214860 0.78 LMNA (0.45) KDRABL1PDGFRBBRAFLMNA

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 disclosed
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
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 HRH3 1553/4885KDR 535/4885ABL1 5/4885

“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.