SCHEMBL3106262

SCHEMBL3106262

COc1ccc(Cc2nc(C)nc(N)n2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
CYP2D6 P10635 1/20 0.59
ATM Q13315 1/20 0.59
LMNA P02545 4/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
HTR6 P50406 1/20 0.58
HTT P42858 1/20 0.55
HSD17B10 Q99714 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
MAPT P10636 3/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LTA4H P09960 2/20 0.46
HPGD P15428 1/20 0.45
POLB P06746 2/20 0.44
KDM4E B2RXH2 1/20 0.43
JAK2 O60674 1/20 0.43
PKM P14618 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
SCHEMBL23175129 0.90 LMNA (0.70) ALDH1A1CYP2D6ATMLMNASMN1; SMN2
SCHEMBL28605800 0.76 ALDH1A1 (0.50) ALDH1A1CYP2D6ATMLMNASMN1; SMN2
SCHEMBL30281263 0.76 ALDH1A1 (0.57) ALDH1A1CYP2D6ATMLMNASMN1; SMN2
SCHEMBL28647100 0.75 ALDH1A1 (0.53) ALDH1A1CYP2D6ATMLMNASMN1; SMN2
SCHEMBL34461806 0.75 ALDH1A1 (0.65) ALDH1A1CYP2D6ATMLMNASMN1; SMN2
SCHEMBL30366498 0.75 ALDH1A1 (0.65) ALDH1A1CYP2D6ATMLMNASMN1; SMN2
SCHEMBL13730424 0.75 LTA4H (0.48) ALDH1A1CYP2D6ATMLMNASMN1; SMN2
SCHEMBL854692 0.74 NPSR1 (0.70) ALDH1A1CYP2D6ATMLMNASMN1; SMN2
SCHEMBL28391873 0.73 ALDH1A1 (0.54) ALDH1A1CYP2D6ATMLMNASMN1; SMN2
SCHEMBL28039277 0.73 ALDH1A1 (0.50) ALDH1A1CYP2D6ATMLMNASMN1; SMN2

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-8362241-B2 Inhibitors of PI3 kinase and/or mTOR AMGEN INC. (US) 2013-01-29 US disclosed
US-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR AMGEN INC. (US) 2010-10-28 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-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR MTOR, PIK3CA, PIK3CD ALDH1A1 4256/4885CYP2D6 3926/4885ATM 500/4885

“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.