SCHEMBL10205822

SCHEMBL10205822

COc1cc(N2CC3CC2CN3C(=O)OC(C)(C)C)ccc1Nc1ncc(C(F)(F)F)c(Cl)n1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 17/20 0.54
▸ EGFR P00533 3/20 0.46
▸ ERBB2 P04626 1/20 0.45
▸ ERBB3 P21860 1/20 0.45
▸ ERBB4 Q15303 1/20 0.45

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
SCHEMBL30635607 0.92 ALK (0.44) ALKEGFRERBB2ERBB3ERBB4
SCHEMBL30635595 0.90 ALK (0.43) ALKEGFRERBB2ERBB3ERBB4
SCHEMBL30412718 0.90 ALK (0.43) ALKEGFRERBB2ERBB3ERBB4
SCHEMBL30412450 0.89 ALK (0.43) ALKEGFRERBB2ERBB3ERBB4
SCHEMBL30410928 0.89 ALK (0.43) ALKEGFRERBB2ERBB3ERBB4
SCHEMBL10205089 0.83 ALK (0.62) ALKEGFR
SCHEMBL14330691 0.83 ALK (0.62) ALKEGFR
SCHEMBL30635690 0.83 HDAC1 (0.45) ALKEGFRERBB2ERBB3ERBB4
SCHEMBL30635671 0.82 HDAC1 (0.45) ALKEGFRERBB2ERBB3ERBB4
SCHEMBL30412226 0.82 HDAC1 (0.45) ALKEGFRERBB2ERBB3ERBB4

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
US-8546443-B2 Benzylic oxindole pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-01 — — US disclosed
US-8546443-B2 Benzylic oxindole pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-01 — — US disclosed
US-20120329771-A1 BENZYLIC OXINDOLE PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-27 — — US disclosed
US-20120329771-A1 BENZYLIC OXINDOLE PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-27 — — US disclosed
WO-2012085126-A1 OXINDOLOPYRIMIDINE AS IGF1R RECEPTOR INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 — — 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-20120329771-A1 BENZYLIC OXINDOLE PYRIMIDINES MKI67, CCNI, CCNB1 ALK 2575/4885EGFR 1397/4885ERBB2 274/4885

“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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