SCHEMBL634464

SCHEMBL634464

C1=Nc2c3ccccc3cc3cccc(c23)N1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 1/20 0.50
CYP1A2 P05177 4/20 0.41
ERBB2 P04626 1/20 0.41
FYN P06241 1/20 0.41
MAOA P21397 1/20 0.41
ACHE P22303 1/20 0.41
AHR P35869 1/20 0.41
CES1 P23141 1/20 0.36
ALDH1A1 P00352 5/20 0.33
HSD17B10 Q99714 5/20 0.33
HPGD P15428 4/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
HIF1A Q16665 2/20 0.33
NQO2 P16083 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
HTR2A P28223 1/20 0.32
CYP1B1 Q16678 1/20 0.31

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
SCHEMBL4509405 0.70 CYP1A2 (0.44) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL634465 0.70 GRK6 (0.50) GRK6CYP1A2ERBB2FYNMAOA
SCHEMBL634466 0.68 CYP1A2 (0.42) GRK6CYP1A2ERBB2FYNMAOA
SCHEMBL8112 0.67 GRK6 (1.00) GRK6CYP1A2ALDH1A1L3MBTL1MAPK1
SCHEMBL29778809 0.67 GRK6 (1.00) GRK6CYP1A2ALDH1A1L3MBTL1MAPK1
SCHEMBL30919341 0.67 GRK6 (0.50) GRK6CYP1A2ALDH1A1HSD17B10HPGD
Bromide SCHEMBL31741343 0.66 GRK6 (0.96) GRK6CYP1A2ALDH1A1HSD17B10HPGD
Hydrochloric Acid SCHEMBL11423019 0.66 GRK6 (0.96) GRK6CYP1A2ALDH1A1L3MBTL1MAPK1
SCHEMBL30295512 0.65 CYP1A2 (0.46) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL12280879 0.65 CYP1A2 (0.46) CYP1A2ERBB2FYNMAOAACHE

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
US-6376655-B1 APPLYING EXTERNAL STIMULATION; OPTICAL ANISOTROPY RISO NATIONAL LABORATORY (DK) 2002-04-23 US claimed
EP-1507778-B1 ANTI-TUMOUR POLYCYCLIC CARBOXAMIDES UNIV TROBE (AU) 2012-02-22 EP disclosed
US-20090156630-A1 ANTI-TUMOUR POLYCYCLIC CARBOXAMIDES BAGULEY BRUCE CHARLES 2009-06-18 US disclosed
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
US-6376655-B1 APPLYING EXTERNAL STIMULATION; OPTICAL ANISOTROPY RISO NATIONAL LABORATORY (DK) 2002-04-23 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 (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-20090156630-A1 ANTI-TUMOUR POLYCYCLIC CARBOXAMIDES MKI67, MCL1, CCNI GRK6 4822/4885CYP1A2 1244/4885ERBB2 912/4885
US-20050245561-A1 Anti-tumour polycyclic carboxamides MKI67, MCL1, CCNI GRK6 4814/4885CYP1A2 1358/4885ERBB2 792/4885

“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.