SCHEMBL4462170

SCHEMBL4462170

O=c1c2ccccc2ncn1-c1ccc(O)cc1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 10/20 0.72
ESR1 P03372 7/20 0.72
RAB9A P51151 2/20 0.72
GAA P10253 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.62
FGFR1 P11362 1/20 0.61
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
NPC1 O15118 1/20 0.57
KCNH2 Q12809 1/20 0.53
HRH3 Q9Y5N1 1/20 0.53
POLB P06746 1/20 0.51

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
SCHEMBL29377227 0.86 RAB9A (0.76) ESR2ESR1RAB9AGAASMN1; SMN2
SCHEMBL9953323 0.86 RAB9A (0.76) ESR2ESR1RAB9AGAASMN1; SMN2
Hydrochloric Acid SCHEMBL30437013 0.85 RAB9A (0.73) ESR2ESR1RAB9AGAASMN1; SMN2
SCHEMBL30942307 0.84 RAB9A (0.72) ESR2ESR1RAB9AGAASMN1; SMN2
SCHEMBL20886963 0.84 RAB9A (1.00) ESR2ESR1RAB9AGAASMN1; SMN2
SCHEMBL16291434 0.84 RAB9A (0.72) ESR2ESR1RAB9AGAASMN1; SMN2
SCHEMBL20886926 0.84 RAB9A (0.72) ESR2ESR1RAB9AGAASMN1; SMN2
SCHEMBL20886974 0.84 RAB9A (0.72) ESR2ESR1RAB9AGAASMN1; SMN2
SCHEMBL1795123 0.84 ESR2 (1.00) ESR2ESR1RAB9AFGFR1
SCHEMBL13912290 0.84 RAB9A (0.72) ESR2ESR1RAB9AGAASMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1717230-B1 FUSED-RING 4-OXOPYRIMIDINE DERIVATIVE MSD KK (JP) 2014-08-06 EP disclosed
US-8268842-B2 Fused ring 4-oxopyrimidine derivative MSD K.K. (JP) 2012-09-18 US disclosed
CN-1918128-B fused ring 4-oxo-pyrimidine derivatives BANYU PHARMA CO LTD 2011-01-26 CN disclosed
US-20090209562-A1 Fused ring 4-oxopyrimidine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-08-20 US disclosed
US-7521455-B2 Fused ring 4-oxopyrimidine derivative BANYU PHARMACEUTICAL CO. LTD. (JP) 2009-04-21 US disclosed
CN-1918128-A Fused ring 4-oxo-pyrimidine derivatives BANYU PHARMA CO LTD (JP) 2007-02-21 CN disclosed
EP-1717230-A1 FUSED-RING 4-OXOPYRIMIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-02 EP disclosed
US-20050182045-A1 Fused ring 4-oxopyrimidine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-08-18 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-20050182045-A1 Fused ring 4-oxopyrimidine derivative HRH4, HRH2, HRH3 ESR2 625/4885ESR1 556/4885RAB9A 3792/4885
US-20090209562-A1 Fused ring 4-oxopyrimidine derivative HRH4, HRH2, HRH3 ESR2 625/4885ESR1 556/4885RAB9A 3792/4885

“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.