SCHEMBL171028

SCHEMBL171028

CCN(CC)CCOc1cc(Cl)c(C(F)(F)F)cc1C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.46
BIRC5 O15392 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
UTS2R Q9UKP6 1/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
DRD3 P35462 1/20 0.36
MCHR1 Q99705 1/20 0.35
GALR3 O60755 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
LCK P06239 1/20 0.35
AGER Q15109 1/20 0.34
EGFR P00533 1/20 0.34

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
SCHEMBL168956 0.86 KDM4E (0.49) KDM4ESMN1; SMN2UTS2RALDH1A1DRD3
SCHEMBL13602317 0.82 KDM4E (0.53) KDM4EBIRC5SMN1; SMN2SIGMAR1ALDH1A1
SCHEMBL171081 0.80 RAF1 (0.39) KDM4ESMN1; SMN2UTS2RALDH1A1MCHR1
SCHEMBL165584 0.77 RAF1 (0.42) KDM4ESMN1; SMN2ALDH1A1LMNAMCHR1
SCHEMBL13602334 0.75 KDM4E (0.54) KDM4EBIRC5ALDH1A1TDP1DRD2
SCHEMBL13745019 0.73 KDM4E (0.53) KDM4EBIRC5SMN1; SMN2SIGMAR1ALDH1A1
SCHEMBL13648205 0.72 KDM4E (0.49) KDM4EBIRC5SMN1; SMN2SIGMAR1ALDH1A1
SCHEMBL167590 0.72 MAPT (0.40) KDM4EALDH1A1LMNA
SCHEMBL13602335 0.71 PPARD (0.50) TDP1
SCHEMBL4007918 0.70 CYP2D6 (0.47) KDM4EBIRC5SIGMAR1ALDH1A1TDP1

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 16 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-20090298885-A1 METHYLENE UREA DERIVATIVES MERCK PATENT GMBH (DE) 2009-12-03 US disclosed
US-20090298885-A1 METHYLENE UREA DERIVATIVES MERCK PATENT GMBH (DE) 2009-12-03 US 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 (6 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 1022/4885BIRC5 3202/4885SMN1; SMN2 2417/4885
US-20070161677-A1 Bisarylurea derivatives BRAF, RAF1, NRAS KDM4E 2459/4885BIRC5 649/4885SMN1; SMN2 4056/4885
US-20090298885-A1 METHYLENE UREA DERIVATIVES BRAF, RAF1, CMPK1 KDM4E 480/4885BIRC5 2694/4885SMN1; SMN2 2976/4885
US-20070191423-A1 Isoquinoline derivatives ABL1, MAP3K1, MAP3K2 KDM4E 1691/4885BIRC5 1812/4885SMN1; SMN2 2588/4885
US-20130158076-A1 Methylene Urea Derivatives BRAF, RAF1, CMPK1 KDM4E 480/4885BIRC5 2694/4885SMN1; SMN2 2976/4885
US-20090253688-A1 Semicarbazide derivatives as kinase inhibitors MAP3K1, MAP3K6, MAP3K2 KDM4E 1349/4885BIRC5 1620/4885SMN1; SMN2 3294/4885

“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.