SCHEMBL4560301

SCHEMBL4560301

NC(=O)C1=CNCc2cc3ccccc3nc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.47
PTPRA P18433 1/20 0.41
MAPT P10636 5/20 0.40
KDM4E B2RXH2 4/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KMT2A Q03164 3/20 0.40
TSHR P16473 2/20 0.40
CYP3A4 P08684 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 5/20 0.37
GAA P10253 3/20 0.37

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
SCHEMBL31430746 0.71 KDM4E (0.36) IKBKBKDM4ERAB9AKMT2AMEN1
SCHEMBL14940557 0.69 CA12 (0.40) MAPTKDM4ERAB9ASMN1; SMN2KMT2A
SCHEMBL6277692 0.68 NPC1 (0.45) IKBKBMAPTKDM4ENPC1RAB9A
Acridine SCHEMBL28228757 0.68 ALDH1A1 (0.68) IKBKBMAPTKDM4ENPC1RAB9A
SCHEMBL327089 0.67 IKBKB (0.63) IKBKBMAPTKDM4ENPC1RAB9A
SCHEMBL30499579 0.67 IKBKB (0.63) IKBKBMAPTKDM4ENPC1RAB9A
SCHEMBL8133269 0.66 KDM4E (0.42) IKBKBPTPRAMAPTKDM4ENPC1
SCHEMBL20365926 0.65 KDM4E (0.47) IKBKBPTPRAMAPTKDM4ENPC1
SCHEMBL30837 0.64 IKBKB (1.00) IKBKBMAPTKDM4ENPC1RAB9A
SCHEMBL2099350 0.64 IKBKB (0.69) IKBKBMAPTKDM4ESMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7504507-B2 Anti-tumour polycyclic carboxamides AUCKLAND UNISERVICES LIMITED (NZ) 2009-03-17 US disclosed
US-20050245561-A1 Anti-tumour polycyclic carboxamides AUCKLAND UNISERVICES LIMITED (NZ) 2005-11-03 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-20050245561-A1 Anti-tumour polycyclic carboxamides MKI67, MCL1, CCNI IKBKB 238/4885PTPRA 4162/4885MAPT 3981/4885

“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.