SCHEMBL517293

SCHEMBL517293

COc1cc(N2CCC(NC3CC3)CC2)ccc1Nc1ncc(Cl)c(-c2c[nH]c3ccccc23)n1

nearest known ligand 0.84

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 2/20 0.84
EGFR P00533 13/20 0.78
IGF1R P08069 3/20 0.56
KCNH2 Q12809 2/20 0.56
CCNT1 O60563 1/20 0.52
CCNK O75909 1/20 0.52
CCNE1 P24864 1/20 0.52
CDK2 P24941 1/20 0.52
CDK9 P50750 1/20 0.52
CDK12 Q9NYV4 1/20 0.52
MAPK8 P45983 1/20 0.52
MAPK9 P45984 1/20 0.52
MAPK10 P53779 1/20 0.52

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
SCHEMBL517396 0.95 ALK (0.78) ALKEGFRIGF1RKCNH2CDK2
SCHEMBL518047 0.94 ALK (0.84) ALKEGFRIGF1RKCNH2CCNT1
SCHEMBL16366042 0.92 ALK (0.81) ALKEGFRIGF1RKCNH2CDK2
SCHEMBL24301747 0.92 ALK (0.81) ALKEGFRIGF1RKCNH2CCNT1
SCHEMBL29355191 0.91 ALK (1.00) ALKEGFRIGF1RKCNH2
SCHEMBL517412 0.91 ALK (1.00) ALKEGFRIGF1RKCNH2
SCHEMBL518394 0.90 ALK (0.83) ALKEGFRIGF1RKCNH2
SCHEMBL517289 0.90 ALK (0.77) ALKEGFRIGF1RKCNH2CDK2
SCHEMBL10207756 0.89 EGFR (0.89) ALKEGFRIGF1RKCNH2
SCHEMBL517813 0.88 EGFR (0.86) ALKEGFRIGF1RKCNH2

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 ALK 1/4885EGFR 40/4885IGF1R 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.