SCHEMBL14377766

SCHEMBL14377766

COc1cccc(Nc2nnc(-c3c[nH]c4ncc(-c5cnn(C)c5)cc34)o2)c1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 1/20 0.47
▸ ALK Q9UM73 11/20 0.47
▸ NTRK1 P04629 1/20 0.46
▸ FLT1 P17948 1/20 0.46
▸ KDR P35968 1/20 0.46
▸ KIT P10721 2/20 0.46
▸ BCL2 P10415 1/20 0.46
▸ NEK1 Q96PY6 1/20 0.44

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
SCHEMBL14377085 0.89 ALK (0.56) ALK
SCHEMBL14378198 0.88 ALK (0.57) ALKNTRK1KIT
SCHEMBL15842984 0.86 ALK (0.60) ALKNTRK1KITNEK1
SCHEMBL14378200 0.83 ALK (0.53) ALK
SCHEMBL14377786 0.83 ALK (0.51) ALK
SCHEMBL14377770 0.81 PIM1 (0.50) ALK
SCHEMBL14378020 0.81 ALK (0.50) ALK
SCHEMBL14335646 0.80 ALK (0.53) ALK
SCHEMBL14378180 0.80 ALK (0.56) ALK
SCHEMBL14378179 0.80 ALK (0.48) ALKKIT

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2723736-B1 7-Azaindole derivatives suitable for the treatment of cancers MERCK PATENT GMBH (DE) 2015-08-05 — — EP claimed
US-8993564-B2 7-azaindole derivatives suitable for treatment of cancers MERCK PATENT GMBH (DE) 2015-03-31 — — US claimed
US-20140187551-A1 7-AZAINDOLE DERIVATIVES SUITABLE FOR TREATMENT OF CANCERS MERCK PATENT GMBH (DE) 2014-07-03 — — US claimed
EP-2723736-B1 7-Azaindole derivatives suitable for the treatment of cancers MERCK PATENT GMBH (DE) 2015-08-05 — — EP disclosed
EP-2723736-B1 7-Azaindole derivatives suitable for the treatment of cancers MERCK PATENT GMBH (DE) 2015-08-05 — — EP disclosed
US-8993564-B2 7-azaindole derivatives suitable for treatment of cancers MERCK PATENT GMBH (DE) 2015-03-31 — — US disclosed
US-8993564-B2 7-azaindole derivatives suitable for treatment of cancers MERCK PATENT GMBH (DE) 2015-03-31 — — US disclosed
US-20140187551-A1 7-AZAINDOLE DERIVATIVES SUITABLE FOR TREATMENT OF CANCERS MERCK PATENT GMBH (DE) 2014-07-03 — — US disclosed
US-20140187551-A1 7-AZAINDOLE DERIVATIVES SUITABLE FOR TREATMENT OF CANCERS MERCK PATENT GMBH (DE) 2014-07-03 — — US disclosed
WO-2012175168-A1 7-AZAINDOLE DERIVATIVES SUITABLE FOR TREATMENT OF CANCERS MERCK PATENT GMBH (DE) 2012-12-27 — — WO 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-20140187551-A1 7-AZAINDOLE DERIVATIVES SUITABLE FOR TREATMENT OF CANCERS PDK1, PDK2, PDK3 RIPK1 1886/4885ALK 2728/4885NTRK1 1799/4885

“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.

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