SCHEMBL11027751

SCHEMBL11027751

O=C(NCc1ccccc1)n1cc[c]n1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 2/20 0.46
P2RX4 Q99571 1/20 0.46
BCHE P06276 1/20 0.44
FBP1 P09467 1/20 0.44
KDM4E B2RXH2 1/20 0.43
TSHR P16473 2/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CASP3 P42574 1/20 0.43
GAA P10253 1/20 0.42
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL11030408 0.76 SMN1; SMN2 (0.42) P2RX4BCHEKDM4ETSHRGAA
SCHEMBL1260046 0.75 ASAH1 (0.48) ASAH1P2RX4BCHEKDM4ETSHR
SCHEMBL7097269 0.72 P2RX4 (0.48) ASAH1P2RX4BCHEKDM4ETSHR
SCHEMBL23455649 0.71 SMN1; SMN2 (0.54) ASAH1P2RX4BCHEGAAALDH1A1
SCHEMBL11028201 0.69 MEN1 (0.52) KDM4ETSHRMEN1KMT2AGAA
SCHEMBL17627064 0.69 ASAH1 (0.51) ASAH1P2RX4BCHETSHRKMT2A
SCHEMBL714625 0.66 EPHX1 (0.77) KDM4ETSHRHPGDMEN1KMT2A
SCHEMBL3056874 0.66 KMT2A (0.71) KDM4ETSHRHPGDMEN1KMT2A
SCHEMBL27866 0.66 CYP2D6 (0.80) TSHRHPGDMEN1KMT2AGAA
SCHEMBL6631580 0.66

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 4 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-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

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 ASAH1 1995/4885P2RX4 3842/4885BCHE 4719/4885

“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.