SCHEMBL6342104

SCHEMBL6342104

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nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 2/20 0.38
PLA2G5 P39877 2/20 0.38
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
BRD4 O60885 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
NR1H2 P55055 1/20 0.31
MAPK1 P28482 1/20 0.31
TP53 P04637 3/20 0.31
MDM2 Q00987 3/20 0.31
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
RORC P51449 1/20 0.30
MIF P14174 1/20 0.30
ELANE P08246 1/20 0.30

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
SCHEMBL19193511 1.00 PLA2G10 (0.38) PLA2G10PLA2G5DDB1CRBNBRD4
SCHEMBL1969462 0.78 PLA2G10 (0.34) PLA2G10PLA2G5
SCHEMBL3394051 0.71 DDB1 (0.34) PLA2G10PLA2G5DDB1CRBNNR1H2
SCHEMBL6345797 0.71 PLA2G10 (0.36) PLA2G10PLA2G5DDB1CRBNMAPK1
SCHEMBL25957264 0.71 L3MBTL1 (0.36) PLA2G10PLA2G5CHRM2CHRM1CHRM3
SCHEMBL19777703 0.68 PLA2G10 (0.33) PLA2G10PLA2G5DDB1CRBNHRH3
SCHEMBL17964257 0.67 BRD4 (0.41) PLA2G10PLA2G5DDB1CRBNBRD4
SCHEMBL17964284 0.67 MT-CO2 (0.34) PLA2G10PLA2G5DDB1CRBNMAPK1
SCHEMBL19768577 0.67 MT-CO2 (0.34) PLA2G10PLA2G5DDB1CRBNMAPK1
SCHEMBL19768599 0.67 BRD4 (0.41) PLA2G10PLA2G5DDB1CRBNBRD4

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
EP-2334684-B1 PYRAZOLOPYRIMIDINES AND THEIR USE FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INT (DE) 2017-08-02 EP disclosed
US-9079905-B2 Compounds for the treatment of CNS disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-14 US disclosed
US-9079905-B2 Compounds for the treatment of CNS disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-14 US disclosed
US-20120115863-A1 COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-10 US disclosed
US-20120115863-A1 COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-10 US disclosed
WO-2010026214-A1 PYRAZOLOPYRIMIDINES AND THEIR USE FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-11 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-20120115863-A1 COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS CNR1, CNR2, CHRM5 PLA2G10 1517/4885PLA2G5 553/4885DDB1 1197/4885

“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.