SCHEMBL216186

SCHEMBL216186

Cc1cc(N)c(Cl)cc1OCCCN1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 6/20 0.48
EPHX2 P34913 5/20 0.45
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
HTR3A P46098 1/20 0.43
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43
TLR8 Q9NR97 1/20 0.43
NSD2 O96028 1/20 0.41
EHMT2 Q96KQ7 1/20 0.41
KDM4E B2RXH2 2/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL13648213 0.86 HTR4 (0.46) HTR4EPHX2MEN1KMT2ATLR8
SCHEMBL212934 0.86 ALDH1A1 (0.47) HTR4ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL213732 0.84 HRH2 (0.45) EPHX2ALDH1A1MEN1KMT2AHRH2
SCHEMBL18910793 0.82 EPHX2 (0.48) EPHX2ALDH1A1MEN1KMT2AHRH2
SCHEMBL215303 0.82 EPHX2 (0.52) EPHX2ALDH1A1HRH2HRH1KDM4E
SCHEMBL13320335 0.79 EPHX2 (0.52) EPHX2HRH2HRH1
SCHEMBL2128078 0.78 KDM4E (0.52) EPHX2ALDH1A1MEN1KMT2AHRH2
SCHEMBL3423418 0.76 EPHX2 (0.47) EPHX2ALDH1A1MEN1KMT2AHRH2
SCHEMBL1667304 0.76 NSD2 (0.49) HTR4EPHX2ALDH1A1HRH2HRH1
SCHEMBL21512820 0.75 HRH2 (0.43) EPHX2HRH2HRH1TLR8NSD2

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 9 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 disclosed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
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
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 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
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 HTR4 3564/4885EPHX2 2115/4885ALDH1A1 4295/4885

“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.