SCHEMBL3241806

SCHEMBL3241806

CCc1nc2c(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c(=O)n2CC(=O)C(C)(C)C)n1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
TP53 P04637 2/20 0.49
SMN1; SMN2 Q16637 5/20 0.48
LMNA P02545 2/20 0.48
STAT6 P42226 1/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
MTHFD2 P13995 1/20 0.47
ALDH1A1 P00352 3/20 0.47
TSHR P16473 3/20 0.47
HPGD P15428 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
HTT P42858 2/20 0.47
KMT2A Q03164 1/20 0.47
HIF1A Q16665 2/20 0.45
PKM P14618 1/20 0.44
CYP2D6 P10635 1/20 0.43
USP2 O75604 1/20 0.43

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
SCHEMBL3221667 0.90 MAPT (0.46) MAPTTP53SMN1; SMN2LMNAALDH1A1
SCHEMBL3232406 0.86 MAPT (0.52) MAPTTP53SMN1; SMN2LMNASTAT6
SCHEMBL3236227 0.86 MAPT (0.58) MAPTTP53SMN1; SMN2LMNASTAT6
SCHEMBL3238927 0.83 SMN1; SMN2 (0.54) MAPTTP53SMN1; SMN2LMNASTAT6
SCHEMBL3228861 0.82 SMN1; SMN2 (0.47) MAPTTP53SMN1; SMN2LMNASTAT6
SCHEMBL3110981 0.79 MAPT (0.48) MAPTTP53SMN1; SMN2LMNAALDH1A1
SCHEMBL3233335 0.78 SMN1; SMN2 (0.49) MAPTTP53SMN1; SMN2LMNASTAT6
SCHEMBL3224112 0.78 MAPT (0.48) MAPTTP53SMN1; SMN2LMNAALDH1A1
SCHEMBL3267243 0.78 HTT (0.52) MAPTTP53SMN1; SMN2LMNAALDH1A1
SCHEMBL13940807 0.78 POLB (0.50) MAPTTP53SMN1; SMN2LMNAALDH1A1

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 MAPT 2910/4885TP53 4885/4885SMN1; 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.