SCHEMBL213659

SCHEMBL213659

NC(=O)c1[nH]cnc1C(=O)N(c1nc2ccc(Cl)cc2[nH]1)c1c(F)cccc1Cl

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 10/20 0.33
HRH4 Q9H3N8 2/20 0.33
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 1/20 0.33
F10 P00742 2/20 0.32
F2 P00734 1/20 0.32
PLG P00747 1/20 0.32
PLAU P00749 1/20 0.32
PLAT P00750 1/20 0.32
PRSS1 P07477 1/20 0.32
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 1/20 0.32
HTR3A P46098 1/20 0.32
BACE1 P56817 1/20 0.32
HTR3D Q70Z44 1/20 0.32
HTR3C Q8WXA8 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAOB P27338 1/20 0.32

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
SCHEMBL214461 0.94 RAB9A (0.36) CHEK2HRH4RAB9AHSD17B10F10
SCHEMBL213713 0.90 NPC1 (0.38) RAB9ALMNAHPGDSMN1; SMN2
SCHEMBL215133 0.83 POLB (0.38) RAB9ALMNAHPGD
SCHEMBL214977 0.83 POLB (0.38) RAB9ALMNAHPGDSMN1; SMN2
SCHEMBL215085 0.81 GRM2 (0.35) CHEK2RAB9ALMNAHPGDSMN1; SMN2
SCHEMBL214434 0.80 POLB (0.35) RAB9ALMNAHPGD
SCHEMBL215204 0.78 KMT2A (0.37) RAB9ALMNAHPGDSMN1; SMN2
SCHEMBL214035 0.77 POLB (0.41) RAB9AHSD17B10LMNAHPGDSMN1; SMN2
SCHEMBL214647 0.76 POLB (0.38) CHEK2RAB9ALMNAHPGD
SCHEMBL215077 0.76 CHEK2 (0.46) CHEK2SMN1; SMN2HRH3

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 CHEK2 412/4885HRH4 1909/4885RAB9A 2213/4885

“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.