SCHEMBL167428

SCHEMBL167428

Cc1cc(C(F)(F)F)c(Cl)cc1F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.41
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
NPFFR2 Q9Y5X5 3/20 0.37
NOTUM Q6P988 5/20 0.36
SCN9A Q15858 2/20 0.35
IDO1 P14902 2/20 0.34
KDR P35968 1/20 0.34
NPFFR1 Q9GZQ6 2/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
HSD11B1 P28845 2/20 0.33
PDE2A O00408 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL16279518 0.91 RAPGEF4 (0.41) RAPGEF4HTR3EHTR3BHTR3AHTR3D
SCHEMBL13568683 0.84 RAPGEF4 (0.44) RAPGEF4HTR3EHTR3BHTR3AHTR3D
SCHEMBL9885337 0.83 SMN1; SMN2 (0.35) RAPGEF4ALDH1A1MAPT
SCHEMBL9244738 0.82 RAPGEF4 (0.43) RAPGEF4HTR3EHTR3BHTR3AHTR3D
SCHEMBL8975023 0.81 HTR3E (0.42) RAPGEF4HTR3EHTR3BHTR3AHTR3D
SCHEMBL9918975 0.79 PGK1 (0.34) RAPGEF4NOTUMIDO1CYP11B1CYP11B2
SCHEMBL14198841 0.79 KIF11 (0.36) CYP11B1CYP11B2
SCHEMBL8462010 0.79 HTR3E (0.41) RAPGEF4HTR3EHTR3BHTR3AHTR3D
SCHEMBL19433267 0.79 POLB (0.36)
SCHEMBL19433333 0.79 POLB (0.33)

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-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

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 RAPGEF4 2140/4885HTR3E 2275/4885HTR3B 2847/4885
US-20090298885-A1 METHYLENE UREA DERIVATIVES BRAF, RAF1, CMPK1 RAPGEF4 1580/4885HTR3E 4639/4885HTR3B 4302/4885
US-20070191423-A1 Isoquinoline derivatives ABL1, MAP3K1, MAP3K2 RAPGEF4 1449/4885HTR3E 2747/4885HTR3B 1483/4885
US-20130158076-A1 Methylene Urea Derivatives BRAF, RAF1, CMPK1 RAPGEF4 1580/4885HTR3E 4639/4885HTR3B 4302/4885
US-20090253688-A1 Semicarbazide derivatives as kinase inhibitors MAP3K1, MAP3K6, MAP3K2 RAPGEF4 3407/4885HTR3E 2750/4885HTR3B 1497/4885

“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.