SCHEMBL3221667

SCHEMBL3221667

CCc1nc2c(c(=O)n(Cc3ccc(Cl)cc3)c(=O)n2CC(=O)C(C)(C)C)n1C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
LMNA P02545 4/20 0.46
TSHR P16473 3/20 0.46
POLB P06746 2/20 0.46
HTT P42858 2/20 0.46
GAA P10253 1/20 0.46
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
HIF1A Q16665 2/20 0.42
RAB9A P51151 1/20 0.42
ADORA2A P29274 2/20 0.42
ADORA2B P29275 2/20 0.42
ALDH1A1 P00352 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
ADORA1 P30542 1/20 0.42
MEN1 O00255 1/20 0.42
ALOX12 P18054 1/20 0.42
KMT2A Q03164 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
SCHEMBL3241806 0.90 MAPT (0.49) MAPTLMNATSHRHTTTP53
SCHEMBL3110981 0.89 MAPT (0.48) MAPTLMNATSHRPOLBHTT
SCHEMBL3224112 0.88 MAPT (0.48) MAPTLMNATSHRPOLBHTT
SCHEMBL3267243 0.88 HTT (0.52) MAPTLMNATSHRPOLBHTT
SCHEMBL13940807 0.87 POLB (0.50) MAPTLMNATSHRPOLBHTT
SCHEMBL3234639 0.87 MAPT (0.55) MAPTLMNATSHRPOLBHTT
SCHEMBL13940722 0.86 POLB (0.52) MAPTLMNATSHRPOLBHTT
SCHEMBL3223266 0.85 MAPT (0.49) MAPTLMNATSHRPOLBHTT
SCHEMBL3238173 0.85 MAPT (0.55) MAPTLMNATSHRPOLBTP53
SCHEMBL3228639 0.84 ALDH1A1 (0.48) MAPTLMNATSHRPOLBHTT

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 3908/4885TSHR 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.