SCHEMBL3228313

SCHEMBL3228313

CCCn1c(=O)n(Cc2ccc(Cl)cc2Cl)c(=O)c2c1nc(CC)n2C

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.55
ALOX15 P16050 1/20 0.54
TSHR P16473 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
MAPK1 P28482 2/20 0.48
USP2 O75604 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
ABL1 P00519 1/20 0.48
POLB P06746 1/20 0.48
RIN1 Q13671 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ADORA2A P29274 1/20 0.46
ADORA2B P29275 1/20 0.46

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
SCHEMBL3238173 0.85 MAPT (0.55) TP53TSHRNPSR1LMNAMAPT
SCHEMBL3235666 0.83 ADORA3 (0.58) TP53ALOX15TSHRNPSR1MAPT
SCHEMBL3236227 0.81 MAPT (0.58) TP53TSHRNPSR1USP2LMNA
SCHEMBL3234639 0.80 MAPT (0.55) TP53ALOX15TSHRNPSR1LMNA
SCHEMBL3230181 0.79 ADORA3 (0.53) MAPTADORA2AADORA2B
SCHEMBL3227315 0.78 ADORA3 (0.48) TP53LMNAMAPTADORA2AADORA2B
SCHEMBL3221616 0.77 ADORA1 (0.55) TSHRNPSR1LMNAMAPTHTT
SCHEMBL3235416 0.77 ADORA2B (0.40) TSHRNPSR1LMNAMAPTPOLB
SCHEMBL3229109 0.76 ADORA2A (0.59) NPSR1LMNAMAPTPOLBHTT
SCHEMBL13940720 0.76 MAPT (0.51) TP53TSHRNPSR1MAPK1LMNA

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 TP53 4885/4885ALOX15 1923/4885TSHR 322/4885

“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.