SCHEMBL170568

SCHEMBL170568

Cc1ccnc(C(=O)NCCN(C)C)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
ALOX15 P16050 1/20 0.51
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 2/20 0.47
FLT3 P36888 1/20 0.45
SYK P43405 1/20 0.45
USP2 O75604 1/20 0.45
AKT3 Q9Y243 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
MALT1 Q9UDY8 1/20 0.44
POLB P06746 1/20 0.44
CYP1A2 P05177 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
CHRM1 P11229 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
SCHEMBL13852609 0.84 KMT2A (0.52) SMN1; SMN2MEN1KMT2ASYKPOLB
SCHEMBL2655766 0.84 ALOX15 (0.53) HTTSMN1; SMN2ALOX15MEN1KMT2A
SCHEMBL25692406 0.83 SMYD3 (0.53) HTTSMN1; SMN2ALOX15MEN1KMT2A
SCHEMBL13602358 0.82 KMT2A (0.53) SMN1; SMN2MEN1KMT2AFLT3SYK
SCHEMBL168844 0.82 MAOB (0.51) MEN1KMT2AFLT3SYKAKT3
SCHEMBL13232700 0.82 ALOX15 (0.48) HTTSMN1; SMN2ALOX15MEN1KMT2A
SCHEMBL25692512 0.82 HPGD (0.52) HTTSMN1; SMN2ALOX15MEN1KMT2A
SCHEMBL171084 0.81 HPGD (0.50) SMN1; SMN2MEN1KMT2AALDH1A1CYP1A2
SCHEMBL10274536 0.80 KMT2A (0.50) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL12247943 0.79 ALOX15 (0.77) SMN1; SMN2ALOX15MEN1KMT2AALDH1A1

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 HTT 3842/4885SMN1; SMN2 2976/4885ALOX15 3826/4885
US-20130158076-A1 Methylene Urea Derivatives BRAF, RAF1, CMPK1 HTT 3842/4885SMN1; SMN2 2976/4885ALOX15 3826/4885
US-20090253688-A1 Semicarbazide derivatives as kinase inhibitors MAP3K1, MAP3K6, MAP3K2 HTT 3592/4885SMN1; SMN2 3294/4885ALOX15 4508/4885

“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.