SCHEMBL12563002

SCHEMBL12563002

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

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 10/20 0.51
▸ ERBB3 P21860 5/20 0.51
▸ ERBB2 P04626 4/20 0.51
▸ ERBB4 Q15303 4/20 0.51
▸ ALK Q9UM73 10/20 0.51
▸ GAK O14976 1/20 0.49
▸ FES P07332 1/20 0.49
▸ FER P16591 1/20 0.49
▸ TEC P42680 1/20 0.49
▸ CLK1 P49759 1/20 0.49
▸ JAK3 P52333 1/20 0.49
▸ PTK2 Q05397 1/20 0.49
▸ BTK Q06187 1/20 0.49
▸ TNK1 Q13470 1/20 0.49
▸ ROS1 P08922 2/20 0.49
▸ ULK1 O75385 1/20 0.49
▸ ULK2 Q8IYT8 1/20 0.49
▸ MAPK3 P27361 1/20 0.48

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
SCHEMBL12562879 0.96 EGFR (0.49) EGFRERBB3ERBB2ERBB4ALK
SCHEMBL12562693 0.94 EGFR (0.48) EGFRERBB3ERBB2ERBB4ALK
SCHEMBL16200504 0.90 ALK (0.51) EGFRERBB3ALKGAKFES
SCHEMBL12562675 0.90 PTK2 (0.54) ALKPTK2
SCHEMBL12562365 0.88 LRRK2 (0.56) ALKJAK3PTK2
SCHEMBL12562747 0.88 MAPK3 (0.54) ALKPTK2MAPK3
SCHEMBL12562685 0.87 ALK (0.69) ALKMAPK3
SCHEMBL12562970 0.86 EGFR (0.48) EGFRERBB3ERBB2ERBB4ALK
SCHEMBL12562887 0.86 EGFR (0.60) EGFRALKPTK2
SCHEMBL12562744 0.85 LRRK2 (0.65) ALKPTK2

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 3 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

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 EGFR 592/4885ERBB3 1176/4885ERBB2 1008/4885

“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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