SCHEMBL517301

SCHEMBL517301

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

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.72
ALK Q9UM73 6/20 0.67
PLK1 P53350 1/20 0.56
IGF1R P08069 2/20 0.53
CDK2 P24941 2/20 0.53
AURKA O14965 1/20 0.51
INSR P06213 1/20 0.51
ROS1 P08922 1/20 0.51
EML4 Q9HC35 1/20 0.51
ULK1 O75385 1/20 0.49
CCNK O75909 2/20 0.49
CDK7 P50613 2/20 0.49
CCNH P51946 2/20 0.49
MNAT1 P51948 2/20 0.49
CDK12 Q9NYV4 2/20 0.49
CCNT1 O60563 1/20 0.49
CCNE1 P24864 1/20 0.49
CDK9 P50750 1/20 0.49

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 0.91 EGFR (0.74) EGFRALKPLK1IGF1RCDK2
SCHEMBL517613 0.90 EGFR (0.75) EGFRALKPLK1IGF1RCDK2
SCHEMBL518394 0.89 ALK (0.83) EGFRALKIGF1RAURKAINSR
SCHEMBL517889 0.88 EGFR (0.81) EGFRALKIGF1RINSR
SCHEMBL517907 0.82 ALK (0.83) EGFRALKIGF1RCDK2
SCHEMBL517390 0.81 ALK (0.84) EGFRALKIGF1RCDK2CCNK
SCHEMBL29355191 0.80 ALK (1.00) EGFRALKIGF1R
SCHEMBL517412 0.80 ALK (1.00) EGFRALKIGF1R
SCHEMBL517332 0.80 ALK (0.70) EGFRALKIGF1RCDK2CCNK
SCHEMBL573658 0.80 EGFR (0.61) EGFRALKPLK1IGF1RCDK2

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 1/4885PLK1 122/4885

“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.