SCHEMBL6133984

SCHEMBL6133984

Cn1nc(CC(=O)c2ccccc2)ccc1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.43
HPGD P15428 4/20 0.42
RAB9A P51151 5/20 0.42
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
GSK3B P49841 2/20 0.42
PTPN1 P18031 1/20 0.42
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
APAF1 O14727 1/20 0.41
MITF O75030 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GLA P06280 1/20 0.41
TSHR P16473 1/20 0.40
MAPK1 P28482 2/20 0.40
MEN1 O00255 2/20 0.40
CYP3A4 P08684 2/20 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
SCHEMBL5147931 0.81 POLB (0.44) HPGDRAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL5797395 0.74 HTR2C (0.43) RAB9AKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL1811078 0.74 PKM (0.36) PKMRAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL5149093 0.71 L3MBTL1 (0.48) PKMHPGDRAB9AKDM4EALDH1A1
SCHEMBL16618386 0.70 HPGD (0.47) HPGDRAB9AKDM4ESMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL16616453 0.69 HPGD (0.46) HPGDRAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL11636011 0.69 KDM4E (0.55) HPGDRAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL5798675 0.68 CYP1A2 (0.43) HPGDRAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL10796459 0.67 RAB9A (0.49) HPGDRAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL1449523 0.67 HSD11B1 (0.49) HPGDRAB9AKDM4EALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050043315-A1 Aminopyrimidine compounds, processes for their preparation and pharmaceutical compositions containing them ASTELLAS PHARMA INC. (JP) 2005-02-24 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 (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-20050043315-A1 Aminopyrimidine compounds, processes for their preparation and pharmaceutical compositions containing them ADORA2B, ADORA2A, ADORA1 PKM 1156/4885HPGD 521/4885RAB9A 1824/4885

“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.