SCHEMBL4401295

SCHEMBL4401295

COc1cc(N2CCNCC2)ccc1Nc1ncc(C(F)(F)F)c(Nc2ccn3c2C(=O)NCC3)n1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 18/20 0.76
▸ EGFR P00533 1/20 0.66
▸ ULK1 O75385 1/20 0.55

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
SCHEMBL16752965 0.87 ALK (1.00) ALKEGFRULK1
SCHEMBL4562782 0.87 ALK (0.72) ALKEGFR
SCHEMBL16752944 0.81 ALK (1.00) ALK
SCHEMBL16752967 0.81 ALK (1.00) ALK
SCHEMBL29832366 0.79 EGFR (1.00) ALKEGFR
SCHEMBL21846968 0.79 EGFR (1.00) ALKEGFR
SCHEMBL17530379 0.79 ALK (0.82) ALKEGFRULK1
SCHEMBL13895953 0.77 ALK (0.70) ALKEGFRULK1
SCHEMBL1613786 0.77 ALK (0.70) ALKEGFRULK1
SCHEMBL26612049 0.77 ALK (0.75) ALKEGFRULK1

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
US-20090306067-A1 2, 4-DIAMINOPYRIMIDIDE DERIVATES AND THEIR USE FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-10 — — US disclosed
US-20090306067-A1 2, 4-DIAMINOPYRIMIDIDE DERIVATES AND THEIR USE FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-10 — — US disclosed
US-20090306067-A1 2, 4-DIAMINOPYRIMIDIDE DERIVATES AND THEIR USE FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-10 — — US disclosed
WO-2007115999-A1 2, 4-DIAMINOPYRIMIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-18 — — 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-20090306067-A1 2, 4-DIAMINOPYRIMIDIDE DERIVATES AND THEIR USE FOR THE TREATMENT OF CANCER MKI67, CCND1, CCNT1 ALK 455/4885EGFR 75/4885ULK1 4340/4885

“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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