SCHEMBL5756993

SCHEMBL5756993

O=c1[nH]c2nc3ccccc3n2c2ncncc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 1/20 0.48
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
HPGD P15428 4/20 0.46
RAB9A P51151 4/20 0.44
LMNA P02545 2/20 0.44
HSD17B10 Q99714 2/20 0.44
NPC1 O15118 2/20 0.44
GAA P10253 2/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
MAPK10 P53779 1/20 0.41
ADORA1 P30542 3/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ADORA2A P29274 2/20 0.39
ADORA2B P29275 1/20 0.39
DDB1 Q16531 1/20 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
SCHEMBL30935867 0.77 RPA1 (0.57) RPA1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL15180301 0.77 RPA1 (0.57) RPA1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL5753460 0.76 RPA1 (0.43) RPA1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL5753462 0.76 PDE5A (0.32) ALDH1A1DDB1CRBN
SCHEMBL5761830 0.76 PIK3CD (0.36) ALDH1A1MEN1KMT2A
SCHEMBL5761826 0.75 KDM4E (0.45) RPA1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL13425234 0.75 KDM4E (0.53) RPA1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL13425232 0.75 RPA1 (0.49) RPA1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL23504050 0.75 KDM4E (0.46) RPA1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL6326048 0.74 CDK4 (0.34) ALDH1A1HSD17B10MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1664053-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2006-06-07 EP claimed
WO-2005021551-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2005-03-10 WO claimed
EP-1664053-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2006-06-07 EP disclosed
US-20050070554-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-03-31 US disclosed
US-6872435-B2 Multi-component unidirectional graphic article 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-03-29 US disclosed
WO-2005021551-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2005-03-10 WO disclosed
US-20010006714-A1 Multi-component unidirectional graphic article 3M INNOVATIVE PROPERTIES COMPANY 2001-07-05 US disclosed
EP-1105288-A1 MULTI-COMPONENT UNIDIRECTIONAL GRAPHIC ARTICLE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 2001-06-13 EP disclosed
WO-1999065680-A1 MULTI-COMPONENT UNIDIRECTIONAL GRAPHIC ARTICLE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-12-23 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 (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-20050070554-A1 Substituted heterocyclic compounds and methods of use NFATC1, ICOS, PAICS RPA1 4186/4885KDM4E 3392/4885ALDH1A1 774/4885

“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.