SCHEMBL14378034

SCHEMBL14378034

C=C(C)C(=O)Nc1ccc(Nc2nnc(-c3c[nH]c4ncc(-c5cnn(C)c5)cc34)o2)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 11/20 0.41
▸ TNIK Q9UKE5 1/20 0.40
▸ PDPK1 O15530 7/20 0.39
▸ PIK3CG P48736 1/20 0.38

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
SCHEMBL14378036 0.93 CLK1 (0.45) ALKTNIKPDPK1PIK3CG
SCHEMBL14378029 0.92 ALK (0.41) ALKTNIKPDPK1PIK3CG
SCHEMBL15842693 0.92 ALK (0.41) ALKTNIKPDPK1PIK3CG
Cyclohexane SCHEMBL16965638 0.90 ALK (0.44) ALKTNIKPDPK1
SCHEMBL14378193 0.86 AAK1 (0.42) ALKTNIKPDPK1PIK3CG
SCHEMBL16976908 0.85 ALK (0.40) ALKTNIKPDPK1
SCHEMBL14377775 0.85 TTK (0.42) ALKTNIKPDPK1PIK3CG
SCHEMBL14377996 0.84 PAK1 (0.45) ALKTNIKPDPK1
SCHEMBL15843303 0.84 NEK1 (0.45) ALKTNIKPDPK1
Cyclohexane SCHEMBL16965254 0.82 ALK (0.43) ALKTNIKPDPK1

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 ALK 2728/4885TNIK 1522/4885PDPK1 16/4885

“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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