SCHEMBL751607

SCHEMBL751607

Cc1nc(N)cc(-n2nc(C(=O)NC3CC3)cc2Nc2ccn[nH]2)n1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.37
MTOR P42345 4/20 0.37
NTRK1 P04629 12/20 0.37
SPR P35270 1/20 0.36
SMYD3 Q9H7B4 1/20 0.34
KDM5A P29375 1/20 0.33
DPP4 P27487 1/20 0.33

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
SCHEMBL11027419 0.88 PIK3CA (0.40) PIK3CAMTORNTRK1
SCHEMBL2838857 0.84 PIK3CA (0.38) PIK3CAMTORNTRK1
SCHEMBL7890083 0.82 SPR (0.36) NTRK1SPRSMYD3DPP4
SCHEMBL11026244 0.80 PIK3CA (0.40) PIK3CAMTORSPR
SCHEMBL755677 0.66 ALDH1A1 (0.31) PIK3CAMTOR
SCHEMBL754936 0.66 L3MBTL1 (0.33) PIK3CAMTOR
SCHEMBL11028687 0.60 PIK3CA (0.48) PIK3CAMTOR
SCHEMBL25405241 0.60 ALDH1A1 (0.52) SMYD3
SCHEMBL11030618 0.59 MAPKAPK2 (0.43)
SCHEMBL4043347 0.59 ALOX15 (0.51) SMYD3

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
US-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors AMGEN INC. (US) 2012-07-26 US claimed
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 PIK3CA 1/4885MTOR 21/4885NTRK1 939/4885

“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.