SCHEMBL215213

SCHEMBL215213

Cc1cc(N2CCN(C(=O)Nc3ccccc3)CC2)ccc1NC(=O)c1ncn(-c2nc3ccccc3[nH]2)c1C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.39
ME2 P23368 1/20 0.38
ME1 P48163 1/20 0.38
ME3 Q16798 1/20 0.38
MAPT P10636 5/20 0.38
TP53 P04637 2/20 0.38
DGAT1 O75907 2/20 0.38
GLA P06280 1/20 0.38
JAK1 P23458 1/20 0.38
LMNA P02545 3/20 0.37
HTT P42858 3/20 0.37
MAPK1 P28482 2/20 0.37
POLB P06746 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
MEN1 O00255 1/20 0.37
HCRTR1 O43613 1/20 0.37
USP2 O75604 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL214205 0.91 ALK (0.38) MAPTTP53LMNAHTTMEN1
SCHEMBL214963 0.88 LMNA (0.41) MAPTTP53LMNAHTTMAPK1
SCHEMBL214452 0.88 HTR3A (0.42) NAMPTMAPTTP53LMNAALDH1A1
SCHEMBL214366 0.87 FAAH (0.44) MAPTTP53HTTMAPK1CYP1A2
Hydrochloric Acid SCHEMBL214493 0.87 HTR3A (0.41) NAMPTMAPTTP53LMNAALDH1A1
SCHEMBL216123 0.86 PTGDR (0.44) MAPTLMNAHTTMAPK1CYP1A2
SCHEMBL217226 0.82 MEN1 (0.48) MAPTTP53LMNAHTTMAPK1
SCHEMBL214714 0.81 MAPT (0.44) MAPTTP53LMNAHTTMAPK1
SCHEMBL213393 0.79 MAPT (0.46) MAPTLMNAHTTMAPK1MEN1
SCHEMBL2735372 0.79 KDM4E (0.47) ME2ME1ME3MAPTDGAT1

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 NAMPT 2743/4885ME2 3041/4885ME1 4759/4885

“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.