SCHEMBL752730

SCHEMBL752730

[c]1ccnn1-c1nc2ccccc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.49
ACHE P22303 2/20 0.49
TRPC3 Q13507 1/20 0.48
HTR3A P46098 1/20 0.47
TP53 P04637 3/20 0.46
RAB9A P51151 4/20 0.46
MAPT P10636 2/20 0.46
AURKA O14965 2/20 0.45
KDM4E B2RXH2 4/20 0.44
NPC1 O15118 3/20 0.44
PAX8 Q06710 2/20 0.44
ALDH1A1 P00352 2/20 0.44
PKM P14618 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ABCB11 O95342 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
EGLN1 Q9GZT9 1/20 0.43
ALKBH3 Q96Q83 3/20 0.42
MEN1 O00255 3/20 0.42

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
SCHEMBL9554794 0.79 BCHE (0.54) BCHEACHETRPC3HTR3ATP53
SCHEMBL3389271 0.73 BCHE (0.56) BCHEACHETRPC3HTR3ATP53
SCHEMBL27687209 0.72 BCHE (0.47) BCHEACHETRPC3HTR3ATP53
SCHEMBL546101 0.71 EGLN1 (0.51) BCHEACHETRPC3HTR3ATP53
SCHEMBL3591723 0.70 HTR3A (0.51) BCHEACHETRPC3HTR3ATP53
SCHEMBL11030252 0.70 BCHE (0.49) BCHEACHETRPC3HTR3ATP53
SCHEMBL7018102 0.68 BCHE (0.50) BCHEACHETRPC3HTR3ATP53
SCHEMBL2676103 0.67 BCHE (0.96) BCHEACHETRPC3HTR3ATP53
SCHEMBL2674037 0.67 BCHE (0.90) BCHEACHETRPC3HTR3ATP53
SCHEMBL15052362 0.67 BCHE (0.53) BCHEACHETRPC3HTR3ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430013-B1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC (US) 2014-10-15 EP claimed
US-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors AMGEN INC. (US) 2012-07-26 US claimed
EP-2430013-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS Amgen, Inc (US) 2012-03-21 EP claimed
WO-2010132598-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC. (US) 2010-11-18 WO claimed
EP-2430013-B1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC (US) 2014-10-15 EP disclosed
US-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors AMGEN INC. (US) 2012-07-26 US disclosed
EP-2430013-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS Amgen, Inc (US) 2012-03-21 EP disclosed
WO-2010132598-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC. (US) 2010-11-18 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-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors PIK3CA, PIKFYVE, PIK3CD BCHE 4719/4885ACHE 4797/4885TRPC3 2940/4885

“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.