SCHEMBL167416

SCHEMBL167416

Cc1cc(C(F)(F)F)c(Cl)cc1OCCN1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
DRD2 P14416 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
TP53 P04637 1/20 0.40
HTR2C P28335 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR2A P28223 2/20 0.39
HTR2B P41595 2/20 0.39
HTT P42858 1/20 0.38

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
SCHEMBL165581 0.89 KDM4E (0.53) KDM4EDRD2SMN1; SMN2ALDH1A1HTR2C
SCHEMBL171080 0.85 NPC1 (0.54) KDM4ESMN1; SMN2ALDH1A1HTR2CHTR2A
SCHEMBL171148 0.84 SMN1; SMN2 (0.46) KDM4ESMN1; SMN2ALDH1A1GAATP53
SCHEMBL13602323 0.79 KDM4E (0.60) KDM4EDRD2SMN1; SMN2ALDH1A1GAA
SCHEMBL4554237 0.78 BRAF (0.61) SMN1; SMN2ALDH1A1HTR2CHTR2A
SCHEMBL171081 0.74 RAF1 (0.39) KDM4ESMN1; SMN2ALDH1A1GAAHTR2C
SCHEMBL7601343 0.74 HTR2C (0.60) KDM4EDRD2ALDH1A1HTR2CHTR2A
SCHEMBL18804917 0.74 MAPK14 (0.51) SMN1; SMN2ALDH1A1GAAHTR2CHTR2A
SCHEMBL11723523 0.73 POLB (0.59) KDM4ESMN1; SMN2ALDH1A1GAATP53
SCHEMBL165584 0.72 RAF1 (0.42) KDM4ESMN1; SMN2ALDH1A1GAAHTR2A

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 1022/4885DRD2 285/4885SMN1; SMN2 2417/4885
US-20070161677-A1 Bisarylurea derivatives BRAF, RAF1, NRAS KDM4E 2459/4885DRD2 4023/4885SMN1; SMN2 4056/4885
US-20090298885-A1 METHYLENE UREA DERIVATIVES BRAF, RAF1, CMPK1 KDM4E 480/4885DRD2 3073/4885SMN1; SMN2 2976/4885
US-20070191423-A1 Isoquinoline derivatives ABL1, MAP3K1, MAP3K2 KDM4E 1691/4885DRD2 3313/4885SMN1; SMN2 2588/4885
US-20130158076-A1 Methylene Urea Derivatives BRAF, RAF1, CMPK1 KDM4E 480/4885DRD2 3073/4885SMN1; SMN2 2976/4885
US-20090253688-A1 Semicarbazide derivatives as kinase inhibitors MAP3K1, MAP3K6, MAP3K2 KDM4E 1349/4885DRD2 3957/4885SMN1; 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.