SCHEMBL214963

SCHEMBL214963

Cc1cc(N2CCN(c3ccc(Cl)cc3)CC2)ccc1NC(=O)c1ncn(-c2nc3ccccc3[nH]2)c1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.41
▸ OPRM1 P35372 1/20 0.41
▸ OPRD1 P41143 1/20 0.41
▸ MAPT P10636 5/20 0.40
▸ DRD4 P21917 3/20 0.39
▸ ACHE P22303 1/20 0.39
▸ TP53 P04637 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CHEK2 O96017 1/20 0.38
▸ ABCB1 P08183 1/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ ADRA2C P18825 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ DRD2 P14416 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ USP2 O75604 1/20 0.35

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
SCHEMBL214366 0.91 FAAH (0.44) MAPTTP53NPC1RAB9AHTT
SCHEMBL214452 0.91 HTR3A (0.42) LMNAMAPTDRD4TP53HTR1A
Hydrochloric Acid SCHEMBL214493 0.90 HTR3A (0.41) LMNAMAPTDRD4TP53HTR1A
SCHEMBL214205 0.88 ALK (0.38) LMNAMAPTDRD4TP53NPC1
SCHEMBL215213 0.88 NAMPT (0.39) LMNAMAPTTP53HTTKMT2A
SCHEMBL216123 0.87 PTGDR (0.44) LMNAMAPTRAB9AHTTKMT2A
SCHEMBL214938 0.85 MAPT (0.47) LMNAMAPTTP53NPC1RAB9A
SCHEMBL217226 0.84 MEN1 (0.48) LMNAMAPTTP53NPC1RAB9A
SCHEMBL214895 0.83 MAPT (0.41) LMNAMAPTTP53NPC1RAB9A
SCHEMBL214714 0.83 MAPT (0.44) LMNAMAPTTP53NPC1RAB9A

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 7 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
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 — — EP claimed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 — — WO 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 LMNA 4821/4885OPRM1 3516/4885OPRD1 3371/4885

“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.

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