SCHEMBL171084

SCHEMBL171084

COCCNC(=O)c1cc(C)ccn1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.50
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
LOXL2 Q9Y4K0 3/20 0.47
TP53 P04637 2/20 0.46
RAB9A P51151 3/20 0.46
LMNA P02545 1/20 0.46
LOX P28300 2/20 0.45
CYP1A2 P05177 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HSD17B10 Q99714 1/20 0.45
RECQL P46063 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
PSMB8 P28062 1/20 0.44
CTSA P10619 1/20 0.44
NPC1 O15118 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL18569601 0.87 MEN1 (0.46) MEN1KMT2ASMN1; SMN2PSMB8CTSA
SCHEMBL7083262 0.86 CTSA (0.45) ALDH1A1MEN1KMT2ATP53RAB9A
SCHEMBL13852609 0.86 KMT2A (0.52) MEN1KMT2ASMN1; SMN2PSMB8CTSA
Lufironil SCHEMBL344625 0.85 HPGD (0.56) HPGDALDH1A1MEN1KMT2ALOXL2
SCHEMBL13602358 0.83 KMT2A (0.53) MEN1KMT2ASMN1; SMN2PSMB8CTSA
SCHEMBL168844 0.83 MAOB (0.51) MEN1KMT2ALOXL2CYP1A2KDM4E
SCHEMBL24405150 0.82 EGLN1 (0.49) ALDH1A1MEN1KMT2ALOXL2KDM4E
SCHEMBL18049360 0.81 LOXL2 (0.66) HPGDALDH1A1LOXL2RAB9ALMNA
SCHEMBL8842629 0.81 LOXL2 (0.50) HPGDALDH1A1MEN1KMT2ALOXL2
SCHEMBL25692508 0.81 HPGD (0.46) HPGDALDH1A1MEN1KMT2ALOXL2

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 10 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20090298885-A1 METHYLENE UREA DERIVATIVES BRAF, RAF1, CMPK1 HPGD 1200/4885ALDH1A1 748/4885MEN1 549/4885
US-20130158076-A1 Methylene Urea Derivatives BRAF, RAF1, CMPK1 HPGD 1200/4885ALDH1A1 748/4885MEN1 549/4885
US-20090253688-A1 Semicarbazide derivatives as kinase inhibitors MAP3K1, MAP3K6, MAP3K2 HPGD 2924/4885ALDH1A1 1023/4885MEN1 1076/4885

“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.