SCHEMBL517288

SCHEMBL517288

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 1.00
ALK Q9UM73 9/20 0.80
INSR P06213 8/20 0.68
IGF1R P08069 8/20 0.68
CHEK1 O14757 1/20 0.61
AURKA O14965 1/20 0.61
NUAK1 O60285 1/20 0.61
JAK2 O60674 1/20 0.61
STK10 O94804 1/20 0.61
PRKD3 O94806 1/20 0.61
SLC34A2 O95436 1/20 0.61
CHEK2 O96017 1/20 0.61
ABL1 P00519 1/20 0.61
CD74 P04233 1/20 0.61
ERBB2 P04626 1/20 0.61
LCK P06239 1/20 0.61
FYN P06241 1/20 0.61
FES P07332 1/20 0.61
CSF1R P07333 1/20 0.61
YES1 P07947 1/20 0.61

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
SCHEMBL30341887 1.00 EGFR (1.00) EGFRALKINSRIGF1RCHEK1
SCHEMBL10207756 0.94 EGFR (0.89) EGFRALKINSRIGF1R
SCHEMBL517813 0.93 EGFR (0.86) EGFRALKINSRIGF1R
SCHEMBL517278 0.92 EGFR (0.85) EGFRALKINSRIGF1RCHEK1
SCHEMBL517495 0.92 EGFR (0.85) EGFRALKINSRIGF1RPTK2
SCHEMBL517477 0.91 EGFR (0.84) EGFRALKINSRIGF1RPTK2
SCHEMBL518291 0.91 EGFR (0.84) EGFRALKINSRIGF1RPTK2
SCHEMBL518078 0.91 EGFR (0.83) EGFRALKINSRIGF1R
SCHEMBL517458 0.90 EGFR (0.82) EGFRALKINSRIGF1R
SCHEMBL517948 0.90 EGFR (0.81) EGFRALKINSRIGF1R

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 12 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 claimed
WO-2012017239-A2 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-09 WO claimed
US-20120028924-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-02 US claimed
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
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
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.