SCHEMBL216123

SCHEMBL216123

Cc1cc(N2CCN(S(=O)(=O)c3ccccc3)CC2)ccc1NC(=O)c1ncn(-c2nc3ccccc3[nH]2)c1C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 3/20 0.44
HTT P42858 2/20 0.42
MEN1 O00255 7/20 0.40
KMT2A Q03164 7/20 0.40
HPGD P15428 3/20 0.40
GAA P10253 3/20 0.40
MAPT P10636 4/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GBA1 P04062 1/20 0.38
MAPK1 P28482 2/20 0.38
RAB9A P51151 1/20 0.38
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL214963 0.87 LMNA (0.41) HTTKMT2AMAPTMAPK1RAB9A
SCHEMBL214452 0.87 HTR3A (0.42) MAPTALDH1A1LMNA
SCHEMBL214366 0.86 FAAH (0.44) HTTMEN1KMT2AHPGDGAA
Hydrochloric Acid SCHEMBL214493 0.86 HTR3A (0.41) MAPTALDH1A1LMNA
SCHEMBL215213 0.86 NAMPT (0.39) HTTMEN1KMT2AGAAMAPT
SCHEMBL214205 0.85 ALK (0.38) HTTMEN1KMT2AMAPTRAB9A
SCHEMBL217226 0.81 MEN1 (0.48) HTTMEN1KMT2AHPGDGAA
SCHEMBL214714 0.80 MAPT (0.44) HTTMEN1KMT2AGAAMAPT
SCHEMBL214093 0.80 DRD3 (0.40) PTGDRMEN1KMT2AHPGDGAA
SCHEMBL2735371 0.79 PTGDR (0.53) PTGDRHTTMEN1KMT2AHPGD

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 PTGDR 1355/4885HTT 1059/4885MEN1 3504/4885

“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.