SCHEMBL753783

SCHEMBL753783

Cc1nc(-c2c(Nc3cccc(O)c3)nc3ccccn23)c2nc[nH]c2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.48
APBA1 Q02410 1/20 0.48
KLF5 Q13887 1/20 0.48
PIK3CA P42336 12/20 0.44
MTOR P42345 12/20 0.44
BRAF P15056 1/20 0.43
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PIK3CB P42338 3/20 0.39
PIK3CD O00329 2/20 0.39
PIK3CG P48736 2/20 0.39
SYK P43405 1/20 0.39
USP7 Q93009 1/20 0.39
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38

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
SCHEMBL765852 0.78 PIK3CA (0.62) PIK3CAMTORPIK3CB
SCHEMBL752218 0.77 PIK3CA (0.39) PIK3CAMTORPOLBPIK3CBUSP7
SCHEMBL752212 0.76 PIK3CA (0.65) PIK3CAMTORBRAFPIK3CBPIK3CD
Trifluoroacetic Acid SCHEMBL756425 0.72 PIK3CA (0.57) PIK3CAMTORPIK3CBPIK3CDPIK3CG
SCHEMBL756426 0.70 PIK3CA (0.39) PIK3CAMTORPIK3CBPIK3CDPIK3CG
SCHEMBL2995190 0.68 BRAF (0.52) BRAFSYK
SCHEMBL1684663 0.67 CDK2 (0.78) CACNA1BAPBA1KLF5SYK
SCHEMBL409700 0.67 CDK2 (0.61) CACNA1BAPBA1KLF5BRAFSYK
SCHEMBL11015319 0.66 CYP3A4 (0.46) PIK3CAMTORTDP1MEN1KMT2A
SCHEMBL2790412 0.66 PIK3CA (0.59) PIK3CAMTORPIK3CB

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 6 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
US-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors AMGEN INC. (US) 2012-07-26 US 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 CACNA1B 4233/4885APBA1 3959/4885KLF5 2521/4885

“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.