SCHEMBL754407

SCHEMBL754407

Cc1c[c]nc(NCC#N)n1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.30
CDK2 P24941 1/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL9845941 0.79 LMNA (0.38) MEN1GAAMAPK1KMT2A
SCHEMBL5604321 0.75 KMT2A (0.58) CDK1MEN1GAAMAPK1KMT2A
SCHEMBL5604519 0.72
SCHEMBL3783284 0.70 CDK1 (0.31) CDK1CDK2
SCHEMBL9393514 0.69 LMNA (0.39) CDK1CDK2GAAMAPK1
SCHEMBL9948469 0.63 CDK1 (0.37) CDK1CDK2GAAMAPK1
SCHEMBL52748 0.62
SCHEMBL9224537 0.62 CA2 (0.36) CDK1CDK2
SCHEMBL8089336 0.60 LMNA (0.38) GAA
SCHEMBL1644689 0.60 CDK1 (0.34) CDK1CDK2GAA

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 CDK1 303/4885CDK2 189/4885MEN1 2197/4885

“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.