SCHEMBL214175

SCHEMBL214175

Nc1ccc(F)cc1OCCN1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.53
TSHR P16473 1/20 0.52
HTR2C P28335 1/20 0.50
HTR2B P41595 1/20 0.50
DRD1 P21728 1/20 0.50
DRD4 P21917 1/20 0.50
DRD5 P21918 1/20 0.50
POLB P06746 2/20 0.49
MAPK14 Q16539 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAOB P27338 1/20 0.46
SYK P43405 1/20 0.46

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
SCHEMBL15741737 0.83 ALDH1A1 (0.59) KDM4ETSHRDRD1DRD4DRD5
SCHEMBL1853220 0.82 DRD1 (0.62) KDM4ETSHRDRD1DRD4DRD5
Hydrochloric Acid SCHEMBL14784484 0.82 TSHR (0.51) KDM4ETSHRDRD1DRD4DRD5
SCHEMBL1924882 0.82 LGMN (0.52) KDM4ETSHRHTR2CHTR2BDRD1
SCHEMBL25374902 0.81 KDM4E (0.57) KDM4ETSHRHTR2CHTR2BDRD1
SCHEMBL12291143 0.81 POLB (0.59) KDM4ETSHRHTR2CHTR2BDRD1
SCHEMBL31125110 0.80 HRH2 (0.53) KDM4ETSHRDRD1DRD4DRD5
SCHEMBL16295618 0.80 KDM4E (0.50) KDM4ETSHRHTR2CHTR2BDRD1
SCHEMBL2554683 0.78 HTR2C (0.53) KDM4ETSHRHTR2CHTR2BDRD1
SCHEMBL2380055 0.78 KDM4E (0.55) KDM4EHTR2CHTR2BPOLBMAPK14

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 KDM4E 952/4885TSHR 2231/4885HTR2C 751/4885

“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.