SCHEMBL214461

SCHEMBL214461

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

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HRH4 Q9H3N8 2/20 0.36
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
HTR3A P46098 1/20 0.35
BACE1 P56817 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
CHEK2 O96017 10/20 0.35
F10 P00742 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
MAOB P27338 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
DGAT1 O75907 1/20 0.33

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
SCHEMBL213659 0.94 CHEK2 (0.33) RAB9AHSD17B10HRH4HTR3EHTR3B
SCHEMBL214977 0.89 POLB (0.38) RAB9A
SCHEMBL213713 0.83 NPC1 (0.38) RAB9ATDP1
SCHEMBL215204 0.82 KMT2A (0.37) RAB9ATDP1
SCHEMBL215077 0.81 CHEK2 (0.46) CHEK2HRH3
SCHEMBL215085 0.79 GRM2 (0.35) RAB9ACHEK2TDP1
SCHEMBL214647 0.79 POLB (0.38) RAB9ACHEK2TDP1
SCHEMBL214939 0.79 POLB (0.36) RAB9ACHEK2TDP1
SCHEMBL214451 0.77 POLB (0.37) RAB9ATDP1
SCHEMBL215133 0.77 POLB (0.38) RAB9A

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 RAB9A 2213/4885HSD17B10 3514/4885HRH4 1909/4885

“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.