SCHEMBL10048667

SCHEMBL10048667

Cc1cc(N2CCN(C(=O)C(C)Nc3c(-c4ccccc4)nc4cnccn34)CC2)c2ccccc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 5/20 0.50
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPK1 P28482 3/20 0.44
KDM4E B2RXH2 3/20 0.44
GAA P10253 3/20 0.44
LMNA P02545 2/20 0.44
BRD4 O60885 2/20 0.42
HTT P42858 2/20 0.41
MAPT P10636 2/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
USP2 O75604 1/20 0.40
PKM P14618 1/20 0.40
HSD17B10 Q99714 1/20 0.40
BRAF P15056 2/20 0.40
METAP1 P53582 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL14963736 0.95 NCF1 (0.47) NCF1MEN1KMT2AMAPK1KDM4E
SCHEMBL14969731 0.93 NCF1 (0.45) NCF1MEN1KMT2AMAPK1KDM4E
SCHEMBL10049220 0.93 NCF1 (0.45) NCF1MEN1KMT2AMAPK1KDM4E
SCHEMBL14963779 0.91 NCF1 (0.43) NCF1MEN1KMT2AMAPK1KDM4E
SCHEMBL10048662 0.85 GAA (0.45) MEN1KMT2AMAPK1KDM4EGAA
SCHEMBL14963787 0.85 NCF1 (0.51) NCF1MEN1KMT2AMAPK1KDM4E
SCHEMBL14963720 0.84 GAA (0.47) MAPK1KDM4EGAALMNABRD4
SCHEMBL10048678 0.84 GAA (0.46) MAPK1KDM4EGAALMNABRD4
SCHEMBL10048658 0.84 GAA (0.47) MEN1KMT2AMAPK1KDM4EGAA
SCHEMBL14963718 0.84 GAA (0.42) KMT2AMAPK1KDM4EGAALMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130131073-A1 FUSED-IMIDAZOYL COMPOUNDS USEFUL AS ANTIMICROBIAL AGENTS MERCK SHARP & DOHME CORP. 2013-05-23 US disclosed
US-20130131073-A1 FUSED-IMIDAZOYL COMPOUNDS USEFUL AS ANTIMICROBIAL AGENTS MERCK SHARP & DOHME CORP. 2013-05-23 US disclosed
WO-2012018665-A1 FUSED-IMIDAZOYL COMPOUNDS USEFUL AS ANTIMICROBIAL AGENTS SCHERING CORPORATION (US) 2012-02-09 WO 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 (1 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-20130131073-A1 FUSED-IMIDAZOYL COMPOUNDS USEFUL AS ANTIMICROBIAL AGENTS MRPL21, ARG1, RPS4Y1 NCF1 299/4885MEN1 1484/4885KMT2A 3816/4885

“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.