SCHEMBL3226883

SCHEMBL3226883

CCc1nc2c(c(=O)n(Cc3ccc(Cl)cc3)c(=O)n2CCO[Si](C)(C)C(C)(C)C)n1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
LMNA P02545 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
ADORA2A P29274 3/20 0.43
ADORA2B P29275 3/20 0.43
POLB P06746 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ADORA1 P30542 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ALOX12 P18054 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 2/20 0.42
HIF1A Q16665 1/20 0.42
HTT P42858 1/20 0.42
TSHR P16473 3/20 0.42
PKM P14618 1/20 0.42
ALOX15 P16050 1/20 0.42
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL3242836 0.86 ADORA2A (0.51) MAPTLMNASMN1; SMN2ADORA2AADORA2B
SCHEMBL3234639 0.85 MAPT (0.55) MAPTLMNASMN1; SMN2ADORA2AADORA2B
SCHEMBL3223266 0.83 MAPT (0.49) MAPTLMNASMN1; SMN2ADORA2AADORA2B
SCHEMBL3234293 0.83 MAPT (0.48) MAPTLMNASMN1; SMN2ADORA2AADORA2B
SCHEMBL3238173 0.83 MAPT (0.55) MAPTLMNASMN1; SMN2ADORA2AADORA2B
SCHEMBL3236349 0.82 MAPT (0.50) MAPTLMNASMN1; SMN2ADORA2AADORA2B
SCHEMBL3229109 0.81 ADORA2A (0.59) MAPTLMNAADORA2AADORA2BPOLB
SCHEMBL13940720 0.81 MAPT (0.51) MAPTLMNASMN1; SMN2ADORA2AADORA2B
SCHEMBL13940859 0.81 MAPT (0.48) MAPTLMNASMN1; SMN2ADORA2AADORA2B
SCHEMBL3221667 0.80 MAPT (0.46) MAPTLMNASMN1; SMN2ADORA2AADORA2B

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
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
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 3908/4885SMN1; SMN2 983/4885

“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.