SCHEMBL517565

SCHEMBL517565

COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(C#N)c(-c2c[nH]c3ccccc23)n1

nearest known ligand 0.81

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.81
ALK Q9UM73 7/20 0.64
INSR P06213 6/20 0.64
IGF1R P08069 6/20 0.64
MAPK7 Q13164 1/20 0.56
LRRK2 Q5S007 1/20 0.56
PTK2 Q05397 1/20 0.54
CDK1 P06493 1/20 0.54
CCNB1 P14635 1/20 0.54
FLT3 P36888 1/20 0.54
CDK7 P50613 1/20 0.54
CCNH P51946 1/20 0.54
MNAT1 P51948 1/20 0.54

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
SCHEMBL517495 0.90 EGFR (0.85) EGFRALKINSRIGF1RMAPK7
SCHEMBL517477 0.89 EGFR (0.84) EGFRALKINSRIGF1RMAPK7
SCHEMBL517288 0.89 EGFR (1.00) EGFRALKINSRIGF1RLRRK2
SCHEMBL30341887 0.89 EGFR (1.00) EGFRALKINSRIGF1RLRRK2
SCHEMBL518291 0.89 EGFR (0.84) EGFRALKINSRIGF1RMAPK7
SCHEMBL517889 0.87 EGFR (0.81) EGFRALKINSRIGF1RMAPK7
SCHEMBL10183270 0.87 EGFR (0.81) EGFRALKINSRIGF1RMAPK7
SCHEMBL10207756 0.83 EGFR (0.89) EGFRALKINSRIGF1R
SCHEMBL517813 0.82 EGFR (0.86) EGFRALKINSRIGF1R
SCHEMBL517278 0.82 EGFR (0.85) EGFRALKINSRIGF1RMAPK7

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2601186-A2 4-(1H-INDOL-3-YL)-PYRIMIDINES AS ALK INHIBITORS AstraZeneca AB (SE) 2013-06-12 EP disclosed
US-8461170-B2 Chemical compounds ASTRAZENECA AB (SE) 2013-06-11 US disclosed
US-8461170-B2 Chemical compounds ASTRAZENECA AB (SE) 2013-06-11 US disclosed
WO-2012017239-A2 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-09 WO disclosed
WO-2012017239-A2 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-09 WO disclosed
US-20120028924-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-02 US disclosed
US-20120028924-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-02 US 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-20120028924-A1 CHEMICAL COMPOUNDS ALK, BRAF, ABL1 EGFR 40/4885ALK 1/4885INSR 860/4885

“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.