SCHEMBL168844

SCHEMBL168844

Cc1ccnc(C(=O)NCCN)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.51
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
KDM4E B2RXH2 1/20 0.50
LOXL2 Q9Y4K0 1/20 0.46
CTSA P10619 2/20 0.45
PSMB8 P28062 1/20 0.45
MMP13 P45452 1/20 0.43
JAK2 O60674 1/20 0.43
FLT3 P36888 1/20 0.43
SYK P43405 1/20 0.43
AKT3 Q9Y243 1/20 0.42
POLB P06746 1/20 0.41
CYP1A2 P05177 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41

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
SCHEMBL170923 0.88 KMT2A (0.47) KMT2AMEN1KDM4ELOXL2CTSA
SCHEMBL13852609 0.87 KMT2A (0.52) KMT2AMEN1CTSAPSMB8MMP13
SCHEMBL13602358 0.84 KMT2A (0.53) KMT2AMEN1CTSAPSMB8MMP13
SCHEMBL171084 0.83 HPGD (0.50) KMT2AMEN1KDM4ELOXL2CTSA
SCHEMBL170924 0.82 PSMB8 (0.47) KMT2AMEN1LOXL2CTSAPSMB8
SCHEMBL10274536 0.82 KMT2A (0.50) KMT2AMEN1KDM4ELOXL2CTSA
SCHEMBL170568 0.82 HTT (0.57) KMT2AMEN1CTSAPSMB8FLT3
SCHEMBL107759 0.82 CTSA (0.50) KMT2AMEN1KDM4ECTSAMMP13
SCHEMBL3503418 0.81 KDM4E (0.53) MAOBKMT2AMEN1KDM4ELOXL2
SCHEMBL3504843 0.81 MAOB (0.63) MAOBKMT2AMEN1KDM4EPOLB

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 MAOB 673/4885KMT2A 996/4885MEN1 549/4885
US-20130158076-A1 Methylene Urea Derivatives BRAF, RAF1, CMPK1 MAOB 673/4885KMT2A 996/4885MEN1 549/4885
US-20090253688-A1 Semicarbazide derivatives as kinase inhibitors MAP3K1, MAP3K6, MAP3K2 MAOB 1033/4885KMT2A 912/4885MEN1 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.