SCHEMBL168956

SCHEMBL168956

Cc1cc(C(F)(F)F)c(Cl)cc1OCCN(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.49
UTS2R Q9UKP6 2/20 0.48
MAPT P10636 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ESR1 P03372 2/20 0.40
RAF1 P04049 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
CHRNA4 P43681 2/20 0.39
CYP1A2 P05177 1/20 0.39
ADRA2A P08913 1/20 0.39
CYP2D6 P10635 1/20 0.39
PKM P14618 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
ADRA1D P25100 1/20 0.39
HTR2C P28335 1/20 0.39
ADRA1A P35348 1/20 0.39

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
SCHEMBL171028 0.86 KDM4E (0.46) KDM4EUTS2RALDH1A1DRD3SMN1; SMN2
SCHEMBL13653261 0.84 UTS2R (0.47) KDM4EUTS2RMAPTGAAMAPK1
SCHEMBL171081 0.82 RAF1 (0.39) KDM4EUTS2RGAAALDH1A1ESR1
SCHEMBL13602319 0.81 KDM4E (0.53) KDM4EMAPTGAAMAPK1ALDH1A1
SCHEMBL165584 0.79 RAF1 (0.42) KDM4EGAAALDH1A1RAF1SMN1; SMN2
SCHEMBL13648164 0.79 KDM4E (0.49) KDM4EUTS2RMAPTGAAMAPK1
SCHEMBL17147252 0.77 KDM4E (0.62) KDM4EMAPTALDH1A1ESR1CHRNA4
SCHEMBL13602322 0.77 UTS2R (0.43) KDM4EUTS2RMAPTGAAMAPK1
SCHEMBL2681800 0.74 KDR (0.58) UTS2RRAF1
SCHEMBL167590 0.74 MAPT (0.40) KDM4EMAPTGAAALDH1A1RAF1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130158076-A1 Methylene Urea Derivatives MERCK PATENT GMBH (DE) 2013-06-20 US disclosed
US-20130158076-A1 Methylene Urea Derivatives MERCK PATENT GMBH (DE) 2013-06-20 US disclosed
US-8410143-B2 Methylene urea derivatives MERCK PATENT GMBH (DE) 2013-04-02 US disclosed
US-8410143-B2 Methylene urea derivatives MERCK PATENT GMBH (DE) 2013-04-02 US disclosed
EP-2426122-A1 Methylene urea derivative as RAF kinasse inhibitors Merck Patent GmbH (DE) 2012-03-07 EP disclosed
US-20090253688-A1 Semicarbazide derivatives as kinase inhibitors MERCK PATENT GMBH (DE) 2009-10-08 US disclosed
US-20090253688-A1 Semicarbazide derivatives as kinase inhibitors MERCK PATENT GMBH (DE) 2009-10-08 US disclosed
US-7589112-B2 Methylene urea derivatives MERCK PATENT GMBH (DE) 2009-09-15 US disclosed
US-20070191423-A1 Isoquinoline derivatives MERCK PATENT GMBH (DE) 2007-08-16 US disclosed
US-20070191423-A1 Isoquinoline derivatives MERCK PATENT GMBH (DE) 2007-08-16 US disclosed
US-20070191444-A1 Benzimidazolyl derivatives MERCK PATENT GMBH (DE) 2007-08-16 US disclosed
US-20070191444-A1 Benzimidazolyl derivatives MERCK PATENT GMBH (DE) 2007-08-16 US disclosed
US-20070161677-A1 Bisarylurea derivatives MERCK PATENT GMBH (DE) 2007-07-12 US disclosed
US-20070161677-A1 Bisarylurea derivatives MERCK PATENT GMBH (DE) 2007-07-12 US 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 (5 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-20070191444-A1 Benzimidazolyl derivatives JAK1, MARK1, RAF1 KDM4E 1022/4885UTS2R 2985/4885MAPT 3584/4885
US-20070161677-A1 Bisarylurea derivatives BRAF, RAF1, NRAS KDM4E 2459/4885UTS2R 2952/4885MAPT 2288/4885
US-20070191423-A1 Isoquinoline derivatives ABL1, MAP3K1, MAP3K2 KDM4E 1691/4885UTS2R 3652/4885MAPT 1370/4885
US-20130158076-A1 Methylene Urea Derivatives BRAF, RAF1, CMPK1 KDM4E 480/4885UTS2R 269/4885MAPT 758/4885
US-20090253688-A1 Semicarbazide derivatives as kinase inhibitors MAP3K1, MAP3K6, MAP3K2 KDM4E 1349/4885UTS2R 3596/4885MAPT 2963/4885

“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.