SCHEMBL761701

SCHEMBL761701

Cc1nc(NC(=O)CC#N)cc(-c2c(Nc3ccn(C)n3)nc3ccc(-c4cncnc4)cn23)n1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTOR P42345 9/20 0.62
PIK3CA P42336 8/20 0.62
JAK1 P23458 4/20 0.36
JAK3 P52333 4/20 0.36
PIK3CG P48736 1/20 0.35
JAK2 O60674 3/20 0.34
TYK2 P29597 2/20 0.34
MKNK1 Q9BUB5 1/20 0.33
LRRK2 Q5S007 1/20 0.32
ABL1 P00519 2/20 0.32
CSNK1D P48730 1/20 0.32
CSNK1E P49674 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL756436 0.84 MTOR (0.76) MTORPIK3CAJAK1JAK3MKNK1
SCHEMBL2770611 0.81 MTOR (0.73) MTORPIK3CAPIK3CG
SCHEMBL756258 0.80 MTOR (0.65) MTORPIK3CAPIK3CG
SCHEMBL2789558 0.78 MTOR (0.77) MTORPIK3CAJAK1JAK3MKNK1
SCHEMBL11029859 0.75 MTOR (0.74) MTORPIK3CAJAK1JAK3JAK2
SCHEMBL2788163 0.74 MTOR (0.57) MTORPIK3CAPIK3CG
SCHEMBL751976 0.74 PIK3CA (0.71) MTORPIK3CAPIK3CG
SCHEMBL11030188 0.73 MTOR (1.00) MTORPIK3CACSNK1DCSNK1E
SCHEMBL2790058 0.73 MTOR (1.00) MTORPIK3CA
SCHEMBL2786709 0.73 MTOR (0.65) MTORPIK3CAKDM4EALDH1A1SMN1; SMN2

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 5 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

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 MTOR 21/4885PIK3CA 1/4885JAK1 424/4885

“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.