SCHEMBL170923

SCHEMBL170923

Cc1ccnc(C(=O)NCCCCCCN)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HDAC3 O15379 3/20 0.44
HDAC1 Q13547 3/20 0.44
HDAC4 P56524 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PAOX Q6QHF9 2/20 0.42
PSMB8 P28062 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL168844 0.88 MAOB (0.51) KMT2AMEN1KDM4EPSMB8LOXL2
SCHEMBL14904965 0.83 KMT2A (0.50) KMT2AMEN1HDAC3HDAC1HDAC4
SCHEMBL13852609 0.82 KMT2A (0.52) KMT2AMEN1SMN1; SMN2PSMB8CTSA
SCHEMBL28322630 0.82 KDM4E (0.61) KMT2AMEN1KDM4EHDAC3HDAC1
SCHEMBL13602358 0.80 KMT2A (0.53) KMT2AMEN1SMN1; SMN2PSMB8CTSA
SCHEMBL15923159 0.78 SMN1; SMN2 (0.70) KMT2AMEN1HDAC3HDAC1HDAC4
SCHEMBL22170879 0.78 SMN1; SMN2 (0.70) KMT2AMEN1HDAC3HDAC1HDAC4
SCHEMBL171084 0.78 HPGD (0.50) KMT2AMEN1KDM4ESMN1; SMN2NPC1
SCHEMBL170924 0.78 PSMB8 (0.47) KMT2AMEN1PSMB8LOXL2CTSA
SCHEMBL10274536 0.77 KMT2A (0.50) KMT2AMEN1KDM4ESMN1; SMN2NPC1

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 KMT2A 996/4885MEN1 549/4885KDM4E 480/4885
US-20130158076-A1 Methylene Urea Derivatives BRAF, RAF1, CMPK1 KMT2A 996/4885MEN1 549/4885KDM4E 480/4885
US-20090253688-A1 Semicarbazide derivatives as kinase inhibitors MAP3K1, MAP3K6, MAP3K2 KMT2A 912/4885MEN1 1076/4885KDM4E 1349/4885

“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.