SCHEMBL3240004

SCHEMBL3240004

CCc1nc2c(c(=O)n(Cc3ccc(Cl)cc3)c(=O)n2CCCN2CCCC2)n1C

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.56
LMNA P02545 3/20 0.56
HTT P42858 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
ALDH1A1 P00352 2/20 0.48
ADORA3 P0DMS8 1/20 0.48
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPK1 P28482 1/20 0.45
TP53 P04637 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ADRB2 P07550 1/20 0.44
STAT6 P42226 1/20 0.44
HIF1A Q16665 1/20 0.44
TSHR P16473 3/20 0.43
USP2 O75604 1/20 0.43
MAOB P27338 1/20 0.43
THRB P10828 1/20 0.43
RAB9A P51151 1/20 0.42

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
SCHEMBL3233318 0.88 ALDH1A1 (0.53) MAPTLMNAHTTNPSR1ALDH1A1
SCHEMBL3235236 0.87 LMNA (0.45) MAPTLMNAHTTNPSR1ALDH1A1
SCHEMBL3234639 0.87 MAPT (0.55) MAPTLMNAHTTNPSR1ALDH1A1
SCHEMBL3236885 0.85 TP53 (0.58) MAPTLMNAHTTADORA3GAA
SCHEMBL3229938 0.85 MAPT (0.52) MAPTLMNAHTTNPSR1ALDH1A1
SCHEMBL3238173 0.85 MAPT (0.55) MAPTLMNANPSR1ALDH1A1ADORA3
SCHEMBL3229109 0.83 ADORA2A (0.59) MAPTLMNAHTTNPSR1ALDH1A1
SCHEMBL13940720 0.83 MAPT (0.51) MAPTLMNAHTTNPSR1ALDH1A1
SCHEMBL13940860 0.82 MAPT (0.49) MAPTLMNAHTTNPSR1ALDH1A1
SCHEMBL3236349 0.82 MAPT (0.50) MAPTLMNAHTTNPSR1ALDH1A1

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-2146996-A1 XANTHINE COMPOUNDS HAVING A POSITIVE ALLOSTERIC GABAB RECEPTOR MODULATOR EFFECT AstraZeneca AB (SE) 2010-01-27 EP claimed
US-20090023704-A1 Novel Compounds 737 ASTRAZENECA AB (SE) 2009-01-22 US claimed
WO-2008130314-A1 XANTHINE COMPOUNDS HAVING A POSITIVE ALLOSTERIC GABAB RECEPTOR MODULATOR EFFECT ASTRAZENECA AB (SE) 2008-10-30 WO 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 MAPT 2910/4885LMNA 3908/4885HTT 4508/4885

“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.