SCHEMBL517613

SCHEMBL517613

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

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.75
ALK Q9UM73 6/20 0.69
IGF1R P08069 3/20 0.54
PLK1 P53350 2/20 0.54
AURKA O14965 1/20 0.53
INSR P06213 1/20 0.53
ROS1 P08922 1/20 0.53
EML4 Q9HC35 1/20 0.53
CDK2 P24941 1/20 0.51
JAK2 O60674 1/20 0.50
JAK1 P23458 1/20 0.50

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
SCHEMBL517036 0.92 EGFR (0.74) EGFRALKIGF1RPLK1AURKA
SCHEMBL518394 0.92 ALK (0.83) EGFRALKIGF1RAURKAINSR
SCHEMBL517390 0.91 ALK (0.84) EGFRALKIGF1RCDK2JAK2
SCHEMBL517301 0.90 EGFR (0.72) EGFRALKIGF1RPLK1AURKA
SCHEMBL517332 0.90 ALK (0.70) EGFRALKIGF1RCDK2JAK2
SCHEMBL573658 0.89 EGFR (0.61) EGFRALKIGF1RPLK1AURKA
SCHEMBL518242 0.89 EGFR (0.60) EGFRALKIGF1RJAK2JAK1
SCHEMBL517495 0.87 EGFR (0.85) EGFRALKIGF1RINSR
SCHEMBL573659 0.86 EGFR (0.57) EGFRALKCDK2JAK2JAK1
SCHEMBL23625231 0.85 ALK (0.64) EGFRALKIGF1RCDK2JAK2

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 9 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
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 1/4885IGF1R 499/4885

“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.