SCHEMBL749758

SCHEMBL749758

Cc1n[c]cc(Nc2ccc(N3CCOCC3C)nn2)n1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 16/20 0.36
▸ PDE4D Q08499 2/20 0.36
▸ ATRIP Q8WXE1 8/20 0.35
▸ PIK3CD O00329 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ CHEK1 O14757 6/20 0.35
▸ PDCD1 Q15116 6/20 0.35
▸ CD274 Q9NZQ7 6/20 0.35
▸ MTOR P42345 2/20 0.34

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
SCHEMBL749069 0.82 ALDH1A1 (0.45) PIK3CAMTOR
SCHEMBL754024 0.77 NR3C2 (0.39) PIK3CDPIK3CAMTOR
SCHEMBL753108 0.70 LRRK2 (0.36) PIK3CDPIK3CAMTOR
SCHEMBL24374635 0.69 MTOR (0.54) ATRATRIPPIK3CDPIK3CACHEK1
SCHEMBL11634928 0.69 MTOR (0.54) ATRATRIPPIK3CDPIK3CACHEK1
SCHEMBL27787101 0.68 ATR (0.44) ATRPDE4DATRIPPIK3CDPIK3CA
SCHEMBL24374692 0.67 BTK (0.48) ATRATRIPCHEK1PDCD1CD274
SCHEMBL30629341 0.65 PIK3CD (0.58) ATRATRIPPIK3CDPIK3CACHEK1
SCHEMBL28902833 0.65 ATR (0.65) ATRATRIPPIK3CDPIK3CACHEK1
SCHEMBL11632971 0.64 MTOR (0.48) ATRATRIPPIK3CDPIK3CACHEK1

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 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 ATR 315/4885PDE4D 2834/4885ATRIP 693/4885

“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.

Send feedback