SCHEMBL17478686

SCHEMBL17478686

NC(=O)c1ncccc1N1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 4/20 0.56
PIM3 Q86V86 3/20 0.56
NPC1 O15118 1/20 0.54
PIM2 Q9P1W9 2/20 0.50
GAA P10253 1/20 0.46
CDK8 P49336 1/20 0.45
CDC7 O00311 2/20 0.44
CDK9 P50750 1/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
THRB P10828 1/20 0.44
ALOX15 P16050 1/20 0.44
GFER P55789 1/20 0.44
YWHAG P61981 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HCRTR1 O43613 2/20 0.43
HTT P42858 1/20 0.43
ROCK2 O75116 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
SCHEMBL18607846 0.98 PIM1 (0.58) PIM1PIM3NPC1PIM2GAA
SCHEMBL944622 0.86 POLB (0.51) PIM1PIM3MAPTKDM4EHSD17B10
SCHEMBL30263296 0.86 HTR2A (0.54) PIM1PIM3MAPTKDM4E
SCHEMBL29402590 0.86 MEN1 (0.46) PIM1PIM3MEN1KMT2AHSD17B10
SCHEMBL935378 0.86 KDM4E (0.48) PIM1PIM3CDK9KDM4EHSD17B10
SCHEMBL25411523 0.86 HTR2A (0.54) PIM1PIM3MAPTKDM4E
SCHEMBL28144061 0.85 MYC (0.57) PIM1PIM3NPC1PIM2GAA
Hydrochloric Acid SCHEMBL30782681 0.84 HTR2A (0.52) PIM1PIM3MAPTKDM4E
SCHEMBL17007157 0.83 PIM1 (0.56) PIM1PIM3NPC1PIM2GAA
SCHEMBL15405753 0.83 KCNMA1 (0.44) PIM1PIM3PIM2CDK8MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3814329-A1 NOVEL PYRIDINE AND PYRAZINE COMPOUNDS AS INHIBITORS OF CANNABINOID RECEPTOR 2 F. Hoffmann-La Roche AG (CH) 2021-05-05 EP claimed
EP-3814329-A1 NOVEL PYRIDINE AND PYRAZINE COMPOUNDS AS INHIBITORS OF CANNABINOID RECEPTOR 2 F. Hoffmann-La Roche AG (CH) 2021-05-05 EP disclosed
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

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 PIM1 2480/4885PIM3 2403/4885NPC1 1007/4885
US-10752640-B2 Compounds active towards bromodomains BRD4, BRD3, BRDT PIM1 2480/4885PIM3 2403/4885NPC1 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.