SCHEMBL3598565

SCHEMBL3598565

O=c1c2sccc2ncn1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
GRM1 Q13255 8/20 0.54
ALDH1A1 P00352 5/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ESR1 P03372 1/20 0.48
ESR2 Q92731 1/20 0.48
HCAR1 Q9BXC0 1/20 0.46
HTT P42858 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MCHR1 Q99705 1/20 0.46
HPGD P15428 1/20 0.45
RAB9A P51151 2/20 0.44
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL3607160 0.85 MAPT (0.56) MEN1KMT2AGRM1ALDH1A1SMN1; SMN2
SCHEMBL4161919 0.84 MEN1 (0.50) MEN1KMT2AGRM1ESR1ESR2
SCHEMBL1616707 0.73 MEN1 (0.63) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL26204969 0.73 MEN1 (0.58) MEN1KMT2AALDH1A1SMN1; SMN2MCHR1
SCHEMBL3755622 0.73 MEN1 (0.58) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL9953323 0.73 RAB9A (0.76) MEN1KMT2ASMN1; SMN2ESR1ESR2
SCHEMBL29377227 0.73 RAB9A (0.76) MEN1KMT2ASMN1; SMN2ESR1ESR2
Hydrochloric Acid SCHEMBL30437013 0.71 RAB9A (0.73) MEN1KMT2ASMN1; SMN2ESR1ESR2
SCHEMBL2733196 0.70 MEN1 (0.59) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL15939806 0.70 GRM1 (1.00) GRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723331-B2 Thienopyrimidine compounds and uses thereof ASTRAZENECA AB (SE) 2010-05-25 US disclosed
EP-2121703-A1 THIENOPYRIMIDIN-4-ONE AND THIENOPYRIDAZIN-7-ONE DERIVATIVES AS MCH RL ANTAGONISTS AstraZeneca AB (SE) 2009-11-25 EP disclosed
US-20080051405-A1 Therapeutic Agents ASTRAZENECA AB (SE) 2008-02-28 US disclosed
WO-2008020799-A1 THIENOPYRIMIDIN-4-ONE AND THIENOPYRIDAZIN-7-ONE DERIVATIVES AS MCH RL ANTAGONISTS ASTRAZENECA AB (SE) 2008-02-21 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-20080051405-A1 Therapeutic Agents GPR119, HTT, IAPP MEN1 2927/4885KMT2A 905/4885GRM1 77/4885

“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.