SCHEMBL3068704

SCHEMBL3068704

[2H]C([2H])([2H])c1ccc(NC(=O)c2ccc(C([2H])([2H])N3CCNCC3)cc2)cc1Nc1nccc(-c2cccnc2)n1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 16/20 0.80
▸ BCR P11274 12/20 0.80
▸ KIT P10721 12/20 0.80
▸ LRRK2 Q5S007 1/20 0.80
▸ PDGFRA P16234 10/20 0.68
▸ PDGFRB P09619 5/20 0.68
▸ ABL2 P42684 3/20 0.68
▸ EGFR P00533 2/20 0.68
▸ PLK4 O00444 1/20 0.68
▸ DDX3X O00571 1/20 0.68
▸ GAK O14976 1/20 0.68
▸ SLC22A2 O15244 1/20 0.68
▸ MAPK13 O15264 1/20 0.68
▸ CA12 O43570 1/20 0.68
▸ SLC22A3 O75751 1/20 0.68
▸ ABCB11 O95342 1/20 0.68
▸ CA1 P00915 1/20 0.68
▸ CA2 P00918 1/20 0.68
▸ LMNA P02545 1/20 0.68
▸ ALB P02768 1/20 0.68

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
SCHEMBL3064834 0.94 ABL1 (0.90) ABL1BCRKITLRRK2PDGFRA
SCHEMBL13138679 0.91 ABL1 (0.70) ABL1BCRKITLRRK2PDGFRA
SCHEMBL3264382 0.90 ABL1 (0.90) ABL1BCRKITLRRK2PDGFRA
SCHEMBL29410182 0.89 ABL1 (1.00) ABL1BCRKITLRRK2PDGFRA
SCHEMBL846536 0.89 ABL1 (1.00) ABL1BCRKITLRRK2PDGFRA
SCHEMBL3072795 0.87 ABL1 (0.65) ABL1BCRKITLRRK2PDGFRA
SCHEMBL4405514 0.86 ABL1 (1.00) ABL1BCRKITLRRK2PDGFRA
SCHEMBL13138678 0.86 ABL1 (0.76) ABL1BCRKITLRRK2PDGFRA
SCHEMBL3071844 0.85 PDGFRA (0.80) ABL1BCRKITLRRK2PDGFRA
SCHEMBL19586397 0.84 ABL1 (0.89) ABL1BCRKITLRRK2PDGFRA

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
US-20130121963-A1 N-PHENYL-2-PYRIMIDINEAMINE DERIVATIVES CONCERT PHARMACEUTICALS INC. (US) 2013-05-16 — — US disclosed
US-20100221221-A1 N-PHENYL-2-PYRIMIDINEAMINE DERIVATIVES CONCERT PHARMACEUTICALS INC. (US) 2010-09-02 — — US disclosed
US-20100221221-A1 N-PHENYL-2-PYRIMIDINEAMINE DERIVATIVES CONCERT PHARMACEUTICALS INC. (US) 2010-09-02 — — 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 (2 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-20130121963-A1 N-PHENYL-2-PYRIMIDINEAMINE DERIVATIVES NME2, NME1, ABL1 ABL1 3/4885BCR 841/4885KIT 1603/4885
US-20100221221-A1 N-PHENYL-2-PYRIMIDINEAMINE DERIVATIVES NME2, NME1, ABL1 ABL1 3/4885BCR 841/4885KIT 1603/4885

“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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