SCHEMBL4309528

SCHEMBL4309528

NC(=O)c1ccncc1N1CCCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 0.62
CDK9 P50750 1/20 0.62
NPC1 O15118 1/20 0.58
MAPT P10636 4/20 0.51
KDM4E B2RXH2 4/20 0.51
MEN1 O00255 2/20 0.51
THRB P10828 2/20 0.51
KMT2A Q03164 2/20 0.51
ALOX15 P16050 1/20 0.51
GFER P55789 1/20 0.51
YWHAG P61981 1/20 0.51
HSD17B10 Q99714 1/20 0.51
HTT P42858 3/20 0.50
ROCK2 O75116 1/20 0.47
MAP4K4 O95819 1/20 0.47
CDK2 P24941 1/20 0.47
GSK3B P49841 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
IRAK4 Q9NWZ3 1/20 0.47
TDP1 Q9NUW8 2/20 0.46

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
SCHEMBL883907 0.87 CDC7 (0.58) CDC7CDK9NPC1MAPTKDM4E
SCHEMBL3554851 0.86 CDC7 (0.48) CDC7CDK9NPC1MAPTKDM4E
SCHEMBL17061682 0.86 CYP3A4 (0.49) CDC7CDK9NPC1KDM4EKMT2A
SCHEMBL3627591 0.85 NPC1 (0.61) CDC7CDK9NPC1MAPTKDM4E
SCHEMBL28509680 0.85 KDM4C (0.49) CDC7CDK9MAPTKDM4EMEN1
SCHEMBL29403120 0.84 KIF18A (0.47) CDC7CDK9NPC1TDP1SIRT3
SCHEMBL29534523 0.84 KIF18A (0.47) CDC7CDK9NPC1TDP1SIRT3
SCHEMBL18394720 0.83 KDM4C (0.47) CDC7CDK9NPC1MAPTKDM4E
SCHEMBL29664704 0.83 KDM4C (0.47) CDC7CDK9NPC1MAPTKDM4E
SCHEMBL31565663 0.75 NPC1 (0.96) CDC7CDK9NPC1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10752640-B2 Compounds active towards bromodomains NUEVOLUTION A/S (DK) 2020-08-25 US disclosed
US-20170349607-A1 COMPOUNDS ACTIVE TOWARDS BROMODOMAINS NUEVOLUTION A/S (DK) 2017-12-07 US disclosed
EP-3174868-A1 COMPOUNDS ACTIVE TOWARDS BROMODOMAINS Nuevolution A/S (DK) 2017-06-07 EP disclosed
WO-2016016316-A1 COMPOUNDS ACTIVE TOWARDS BROMODOMAINS NUEVOLUTION A/S (DK) 2016-02-04 WO disclosed
WO-2009130015-A1 IMPROVED RAF INHIBITORS GPC BIOTECH AG (DE) 2009-10-29 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 (2 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-20170349607-A1 COMPOUNDS ACTIVE TOWARDS BROMODOMAINS BRD4, BRD3, BRDT CDC7 395/4885CDK9 114/4885NPC1 1007/4885
US-10752640-B2 Compounds active towards bromodomains BRD4, BRD3, BRDT CDC7 395/4885CDK9 114/4885NPC1 1007/4885

“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.