SCHEMBL12562685

SCHEMBL12562685

COc1cc(N2CCN(C)CC2)ccc1Nc1ncc(C(F)(F)F)c(N[C@@H]2Cc3ccccc3[C@H]2NC(C)=O)n1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 19/20 0.69
▸ MAPK3 P27361 1/20 0.58

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
SCHEMBL12562887 0.89 EGFR (0.60) ALK
SCHEMBL12562683 0.88 ALK (0.65) ALKMAPK3
SCHEMBL16200504 0.88 ALK (0.51) ALKMAPK3
SCHEMBL16192753 0.87 LRRK2 (0.70) —
SCHEMBL12562742 0.87 LRRK2 (0.70) —
SCHEMBL16192754 0.87 LRRK2 (0.70) —
SCHEMBL12563002 0.87 EGFR (0.51) ALKMAPK3
SCHEMBL12562675 0.87 PTK2 (0.54) ALK
SCHEMBL12826561 0.87 ALK (0.75) ALK
SCHEMBL12562682 0.86 EGFR (0.53) ALKMAPK3

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
EP-2435411-B1 2,4-DIAMINOPYRIMIDINES FOR THE TREATMENT OF DISEASES CHARACTERISED BY EXCESSIVE OR ABNORMAL CELL PROLIFERATION BOEHRINGER INGELHEIM INT (DE) 2014-10-29 — — EP disclosed
US-8410126-B2 Pyrimidine inhibitors of PKTK2 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-04-02 — — US disclosed
US-20110130401-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-02 — — US disclosed
WO-2010136559-A1 2, 4 -DIAMINOPYRIMIDINES FOR THE TREATMENT OF DISEASES CHARACTERISED BY EXCESSIVE OR ABNORMAL CELL PROLIFERATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-02 — — 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-20110130401-A1 NEW CHEMICAL COMPOUNDS RB1, MKI67, CCNA1 ALK 2088/4885MAPK3 1420/4885

“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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