SCHEMBL518626

SCHEMBL518626

COc1cc(N2CCC(N3CC[C@@H](F)C3)CC2)c(C)cc1Nc1ncc(Cl)c(-c2c[nH]c3ccccc23)n1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.65
ALK Q9UM73 2/20 0.63
CCNT1 O60563 5/20 0.51
CDK2 P24941 5/20 0.51
CDK9 P50750 5/20 0.51
CDK7 P50613 4/20 0.51
CCNH P51946 4/20 0.51
CCNA2 P20248 3/20 0.51
MNAT1 P51948 3/20 0.51
CCNK O75909 3/20 0.50
CDK12 Q9NYV4 3/20 0.50
IGF1R P08069 2/20 0.50
INSR P06213 1/20 0.50
CDK13 Q14004 1/20 0.50
KCNH2 Q12809 1/20 0.48
CCNE1 P24864 2/20 0.47
MAPK8 P45983 1/20 0.46
MAPK9 P45984 1/20 0.46
MAPK10 P53779 1/20 0.46

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
SCHEMBL518627 1.00 EGFR (0.65) EGFRALKCCNT1CDK2CDK9
SCHEMBL10207162 0.92 EGFR (0.70) EGFRALKCCNT1CDK2CDK9
SCHEMBL517968 0.90 EGFR (0.79) EGFRALKIGF1RINSR
SCHEMBL517290 0.89 ALK (0.78) EGFRALKCCNT1CDK2CDK9
SCHEMBL517458 0.89 EGFR (0.82) EGFRALKIGF1RINSRKCNH2
SCHEMBL517586 0.86 ALK (0.65) EGFRALKCCNT1CDK2CDK9
SCHEMBL517948 0.84 EGFR (0.81) EGFRALKIGF1RINSR
SCHEMBL517404 0.84 EGFR (0.78) EGFRALKIGF1RINSR
SCHEMBL517589 0.83 EGFR (0.69) EGFRALKIGF1RINSRKCNH2
SCHEMBL518824 0.82 ALK (0.67) EGFRALKCCNT1CDK2CDK9

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 8 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
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 1/4885CCNT1 344/4885

“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.