SCHEMBL244109

SCHEMBL244109

Nc1cc(Cl)nc(N2CCOCC2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
PIK3CA P42336 9/20 0.49
MTOR P42345 6/20 0.48
PIK3R1 P27986 5/20 0.48
NCF1 P14598 1/20 0.48
GAA P10253 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PIK3CD O00329 1/20 0.47
PIK3CB P42338 1/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GLA P06280 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAP3K12 Q12852 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL1617856 0.87 MAPT (0.56) MAPTCYP1A2CYP2D6PIK3CAMTOR
SCHEMBL17673774 0.87 MAPT (0.56) MAPTCYP1A2CYP2D6PIK3CAMTOR
SCHEMBL1458406 0.87 PIK3CA (0.54) PIK3CAMTORPIK3R1NCF1GAA
SCHEMBL10143602 0.84 HRH4 (0.54) NCF1GAAKDM4EALDH1A1GLA
SCHEMBL10143604 0.82 HRH4 (0.53) NCF1GAASMN1; SMN2KDM4EALDH1A1
SCHEMBL855348 0.81 MAPT (0.68) MAPTCYP1A2CYP2D6PIK3CAMTOR
SCHEMBL3289509 0.81 KMT2A (0.65) MAPTCYP1A2CYP2D6PIK3CAMTOR
SCHEMBL9163347 0.79 CASP1 (0.50) MAPTCYP1A2NCF1SMN1; SMN2KMT2A
SCHEMBL3286682 0.79 MAPT (0.57) MAPTCYP1A2CYP2D6PIK3CANCF1
SCHEMBL5480430 0.79 KMT2A (0.68) MAPTCYP1A2CYP2D6KMT2AMEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2588473-A1 NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS AS PIK3 -DELTA INHIBITORS Amgen Inc. (US) 2013-05-08 EP disclosed
US-20130079342-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. 2013-03-28 US disclosed
US-20130079342-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. 2013-03-28 US disclosed
US-20130079342-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. 2013-03-28 US disclosed
WO-2012003264-A1 NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS AS PIK3 -DELTA INHIBITORS AMGEN INC. (US) 2012-01-05 WO disclosed
US-4302586-A FLUORESCENT WHITENERS CIBA-GEIGY CORPORATION (US) 1981-11-24 US 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-20130079342-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 MAPT 3389/4885CYP1A2 1609/4885CYP2D6 1755/4885

“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.