SCHEMBL2621748

SCHEMBL2621748

Brc1ccc2ncc(NC3CCCCC3)nc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 8/20 0.59
▸ PDGFRA P16234 8/20 0.59
▸ EGFR P00533 1/20 0.44
▸ INSR P06213 1/20 0.44
▸ LCK P06239 1/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ LMNA P02545 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ NUDT1 P36639 1/20 0.41
▸ MAP4K4 O95819 1/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ CTSK P43235 1/20 0.40
▸ IRAK4 Q9NWZ3 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HCAR3 P49019 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ GAA P10253 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
SCHEMBL2621752 0.86 IRAK4 (0.55) PDGFRBPDGFRAEGFRINSRLCK
SCHEMBL2621753 0.86 IRAK4 (0.55) PDGFRBPDGFRAEGFRINSRLCK
SCHEMBL2621749 0.86 PDGFRB (0.45) PDGFRBPDGFRAEGFRINSRLCK
SCHEMBL2621758 0.86 PDGFRB (0.61) PDGFRBPDGFRAEGFRINSRLCK
SCHEMBL30399892 0.84 PDGFRB (0.46) PDGFRBPDGFRAEGFRINSRLCK
SCHEMBL2621741 0.84 PDGFRB (0.46) PDGFRBPDGFRAEGFRINSRLCK
SCHEMBL2621761 0.83 IRAK4 (0.58) PDGFRBPDGFRAEGFRINSRLCK
SCHEMBL2621745 0.83 IRAK4 (0.47) PDGFRBPDGFRAEGFRINSRLCK
SCHEMBL2621743 0.82 PDGFRB (0.45) PDGFRBPDGFRAEGFR
SCHEMBL2621762 0.81 IRAK4 (0.47) PDGFRBPDGFRAEGFRINSRLCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2560967-B1 Heterocyclic carboxylic acid amides as PDK1 inihibitors BOEHRINGER INGELHEIM INT (DE) 2017-12-20 — — EP disclosed
US-8575203-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-05 — — US disclosed
US-8575203-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-05 — — US disclosed
US-20120094976-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-19 — — US disclosed
US-20120094976-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-19 — — 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-20120094976-A1 NEW CHEMICAL COMPOUNDS CCNB1, MKI67, CCNA1 PDGFRB 633/4885PDGFRA 1307/4885EGFR 1504/4885

“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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