SCHEMBL215214

SCHEMBL215214

Cc1cc(N2CCN(C(=O)Nc3ccccc3)CC2)ccc1N(C(=O)c1nc[nH]c1C(N)=O)c1nc2ccccc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
DGAT1 O75907 3/20 0.39
JAK1 P23458 1/20 0.39
ME2 P23368 1/20 0.37
ME1 P48163 1/20 0.37
ME3 Q16798 1/20 0.37
GLA P06280 1/20 0.37
MAPT P10636 3/20 0.36
HTT P42858 3/20 0.36
MAPK1 P28482 2/20 0.36
POLB P06746 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
MEN1 O00255 1/20 0.36
HCRTR1 O43613 1/20 0.36
USP2 O75604 1/20 0.36
CYP3A4 P08684 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL214206 0.91 HTR1A (0.37) KDM4ETDP1MAPTHTTMAPK1
SCHEMBL214964 0.88 DRD4 (0.39) KDM4ETDP1MAPTHTTMAPK1
SCHEMBL214453 0.87 ALDH1A1 (0.37) KDM4ETDP1MAPTPOLBLMNA
Hydrochloric Acid SCHEMBL214494 0.87 ALDH1A1 (0.36) KDM4ETDP1MAPTPOLBLMNA
SCHEMBL214367 0.87 FAAH (0.40) TDP1JAK1MAPTMAPK1SMN1; SMN2
SCHEMBL216124 0.86 PTGDR (0.40) KDM4ETDP1MAPTHTTMAPK1
SCHEMBL217227 0.80 POLB (0.37) KDM4ETDP1MAPTHTTPOLB
SCHEMBL213623 0.79 MAP2 (0.36) KDM4ETDP1JAK1SMN1; SMN2
SCHEMBL214715 0.79 POLB (0.40) KDM4ETDP1HTTPOLBCYP1A2
SCHEMBL213394 0.78 POLB (0.48) KDM4EMAPTPOLBMEN1KMT2A

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 KDM4E 952/4885TDP1 3233/4885DGAT1 3518/4885

“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.