SCHEMBL517503

SCHEMBL517503

COc1cc(N2CC[C@@H](N)[C@H](F)C2)ccc1Nc1ncc(Cl)c(-c2c[nH]c3ccccc23)n1

nearest known ligand 0.83

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.83
EGFR P00533 11/20 0.71
IGF1R P08069 7/20 0.53
KCNH2 Q12809 4/20 0.53
CCNT1 O60563 1/20 0.49
CCNK O75909 1/20 0.49
CCNA2 P20248 1/20 0.49
CDK2 P24941 1/20 0.49
CDK7 P50613 1/20 0.49
CDK9 P50750 1/20 0.49
CCNH P51946 1/20 0.49
CDK13 Q14004 1/20 0.49
CDK12 Q9NYV4 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
SCHEMBL517785 1.00 ALK (0.83) ALKEGFRIGF1RKCNH2CCNT1
SCHEMBL517784 1.00 ALK (0.83) ALKEGFRIGF1RKCNH2CCNT1
SCHEMBL517786 1.00 ALK (0.83) ALKEGFRIGF1RKCNH2CCNT1
SCHEMBL517457 1.00 ALK (0.83) ALKEGFRIGF1RKCNH2CCNT1
SCHEMBL29355191 0.91 ALK (1.00) ALKEGFRIGF1RKCNH2
SCHEMBL517412 0.91 ALK (1.00) ALKEGFRIGF1RKCNH2
SCHEMBL517458 0.86 EGFR (0.82) ALKEGFRIGF1RKCNH2
SCHEMBL518047 0.86 ALK (0.84) ALKEGFRIGF1RKCNH2CCNT1
SCHEMBL517293 0.86 ALK (0.84) ALKEGFRIGF1RKCNH2CCNT1
SCHEMBL517604 0.85 ALK (0.81) 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 4 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
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

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.