SCHEMBL171037

SCHEMBL171037

Cc1ccnc(C(=O)NCC(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 10/20 0.55
CTSA P10619 2/20 0.52
VEGFA P15692 1/20 0.47
FLT1 P17948 1/20 0.47
EGLN3 Q9H6Z9 1/20 0.47
EGLN2 Q96KS0 1/20 0.45
FTO Q9C0B1 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
MMP13 P45452 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
POLB P06746 2/20 0.44
TDP1 Q9NUW8 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
SCHEMBL31226250 0.85 EGLN1 (0.68) EGLN1CTSAVEGFAFLT1EGLN3
SCHEMBL1921938 0.85 EGLN1 (0.68) EGLN1CTSAVEGFAFLT1EGLN3
SCHEMBL24405150 0.84 EGLN1 (0.49) EGLN1CTSAVEGFAFLT1EGLN3
SCHEMBL10274536 0.83 KMT2A (0.50) CTSAKMT2AMEN1MMP13POLB
SCHEMBL13852609 0.82 KMT2A (0.52) CTSAKMT2AMEN1MMP13POLB
SCHEMBL107759 0.80 CTSA (0.50) CTSAKMT2AMEN1MMP13
SCHEMBL168844 0.79 MAOB (0.51) CTSAKMT2AMEN1MMP13POLB
SCHEMBL7083262 0.79 CTSA (0.45) CTSAKMT2AMEN1MMP13POLB
SCHEMBL13602358 0.79 KMT2A (0.53) CTSAKMT2AMEN1MMP13POLB
SCHEMBL10992192 0.79 EGLN1 (0.56) EGLN1CTSAEGLN3EGLN2FTO

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 EGLN1 1070/4885CTSA 4790/4885VEGFA 3489/4885
US-20130158076-A1 Methylene Urea Derivatives BRAF, RAF1, CMPK1 EGLN1 1070/4885CTSA 4790/4885VEGFA 3489/4885
US-20090253688-A1 Semicarbazide derivatives as kinase inhibitors MAP3K1, MAP3K6, MAP3K2 EGLN1 1924/4885CTSA 2358/4885VEGFA 4781/4885

“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.