SCHEMBL460650

SCHEMBL460650

COc1ccc(-c2ncn(-c3n[nH]c(N4COCC4(C)C)n3)n2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.34
ALDH1A1 P00352 4/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
GAA P10253 3/20 0.33
HPGD P15428 3/20 0.33
ALOX15 P16050 2/20 0.33
MAPK1 P28482 2/20 0.33
HTT P42858 2/20 0.33
KDM4E B2RXH2 4/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
POLB P06746 2/20 0.32
BCHE P06276 1/20 0.32
LIPE Q05469 1/20 0.32
USP2 O75604 2/20 0.32
TP53 P04637 2/20 0.32
HSD17B10 Q99714 2/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL460531 0.72 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2GAAMAPK1KDM4E
SCHEMBL425854 0.67 KMT2A (0.40) ALDH1A1SMN1; SMN2HPGDALOX15MAPK1
SCHEMBL461872 0.63 OPRM1 (0.40) ALDH1A1HPGDHTTMEN1KMT2A
SCHEMBL2743353 0.61 CNR1 (0.49) ALDH1A1SMN1; SMN2HPGDHTTKDM4E
SCHEMBL13696876 0.59 CLK4 (0.53) ALDH1A1SMN1; SMN2HPGDKDM4EMEN1
SCHEMBL22173634 0.58 CHRNA7 (0.46) GAAMAPK1KDM4EMAPTPTGS2
SCHEMBL425575 0.57 BCHE (0.56) ALDH1A1SMN1; SMN2GAAHPGDKDM4E
SCHEMBL6736048 0.56 PIK3CA (0.66) PIK3CAALDH1A1SMN1; SMN2GAAHPGD
SCHEMBL22897599 0.55 MAPT (0.42) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL11604408 0.55 L3MBTL1 (0.51) ALDH1A1SMN1; SMN2GAAHTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 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-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 PIK3CA 1962/4885ALDH1A1 294/4885SMN1; SMN2 2818/4885

“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.