SCHEMBL3235236

SCHEMBL3235236

CCc1nc2c(c(=O)n(Cc3ccc(Cl)cc3)c(=O)n2CCCN2CCC3(CC2)OCCO3)n1C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.45
MAPT P10636 4/20 0.45
MAPK1 P28482 3/20 0.44
SMN1; SMN2 Q16637 4/20 0.42
HTT P42858 3/20 0.42
ADORA2A P29274 3/20 0.42
ALDH1A1 P00352 3/20 0.42
USP2 O75604 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
TSHR P16473 1/20 0.42
GAA P10253 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
TP53 P04637 1/20 0.40
STAT6 P42226 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ADRB2 P07550 1/20 0.40
HIF1A Q16665 1/20 0.40
ADORA2B P29275 2/20 0.40
ADORA1 P30542 1/20 0.40

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
SCHEMBL3240004 0.87 MAPT (0.56) LMNAMAPTMAPK1SMN1; SMN2HTT
SCHEMBL3233318 0.81 ALDH1A1 (0.53) LMNAMAPTMAPK1SMN1; SMN2HTT
SCHEMBL3234639 0.81 MAPT (0.55) LMNAMAPTSMN1; SMN2HTTADORA2A
SCHEMBL3236885 0.79 TP53 (0.58) LMNAMAPTSMN1; SMN2HTTTSHR
SCHEMBL3229938 0.79 MAPT (0.52) LMNAMAPTMAPK1SMN1; SMN2HTT
SCHEMBL3238173 0.79 MAPT (0.55) LMNAMAPTSMN1; SMN2ADORA2AALDH1A1
SCHEMBL3236349 0.78 MAPT (0.50) LMNAMAPTSMN1; SMN2HTTADORA2A
SCHEMBL3237069 0.78 LMNA (0.51) LMNAMAPTSMN1; SMN2HTTADORA2A
SCHEMBL3234293 0.77 MAPT (0.48) LMNAMAPTSMN1; SMN2HTTADORA2A
SCHEMBL13940720 0.77 MAPT (0.51) LMNAMAPTMAPK1SMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090023704-A1 Novel Compounds 737 ASTRAZENECA AB (SE) 2009-01-22 US claimed
EP-2146996-A1 XANTHINE COMPOUNDS HAVING A POSITIVE ALLOSTERIC GABAB RECEPTOR MODULATOR EFFECT AstraZeneca AB (SE) 2010-01-27 EP disclosed
US-20090023704-A1 Novel Compounds 737 ASTRAZENECA AB (SE) 2009-01-22 US disclosed
US-20090023704-A1 Novel Compounds 737 ASTRAZENECA AB (SE) 2009-01-22 US disclosed
US-20090023704-A1 Novel Compounds 737 ASTRAZENECA AB (SE) 2009-01-22 US disclosed
WO-2008130314-A1 XANTHINE COMPOUNDS HAVING A POSITIVE ALLOSTERIC GABAB RECEPTOR MODULATOR EFFECT ASTRAZENECA AB (SE) 2008-10-30 WO disclosed
WO-2008130314-A1 XANTHINE COMPOUNDS HAVING A POSITIVE ALLOSTERIC GABAB RECEPTOR MODULATOR EFFECT ASTRAZENECA AB (SE) 2008-10-30 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-20090023704-A1 Novel Compounds 737 GRPR, GABRB1, GABBR1 LMNA 3908/4885MAPT 2910/4885MAPK1 2785/4885

“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.