SCHEMBL29536962

SCHEMBL29536962

C#CC(=O)Nc1ccc(F)c(Nc2nc(Nc3cnn(C)c3)ncc2-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DDR2 Q16832 7/20 0.47
▸ KDR P35968 2/20 0.44
▸ AURKB Q96GD4 1/20 0.44
▸ MERTK Q12866 5/20 0.44
▸ JAK3 P52333 3/20 0.43
▸ JAK1 P23458 2/20 0.43
▸ TYK2 P29597 1/20 0.43
▸ TYRO3 Q06418 5/20 0.42
▸ AXL P30530 3/20 0.41
▸ LRRK2 Q5S007 1/20 0.41
▸ TNK2 Q07912 1/20 0.41
▸ MAP4K2 Q12851 1/20 0.41

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
SCHEMBL24392820 1.00 DDR2 (0.47) DDR2KDRAURKBMERTKJAK3
SCHEMBL29537623 0.88 DDR2 (0.47) DDR2KDRAURKBMERTKJAK3
Pebezertinib SCHEMBL24392854 0.88 JAK3 (0.54) DDR2KDRAURKBMERTKJAK3
SCHEMBL24393097 0.88 DDR2 (0.47) DDR2KDRAURKBMERTKJAK3
SCHEMBL29537705 0.88 DDR2 (0.46) DDR2KDRAURKBMERTKJAK3
SCHEMBL24393090 0.88 DDR2 (0.46) DDR2KDRAURKBMERTKJAK3
Pebezertinib SCHEMBL29538037 0.86 JAK3 (0.49) DDR2KDRAURKBMERTKJAK3
Trifluoroacetic Acid SCHEMBL29250582 0.86 DDR2 (0.45) DDR2KDRAURKBMERTKJAK3
SCHEMBL29250731 0.84 DDR2 (0.44) DDR2KDRAURKBMERTKJAK3
SCHEMBL29250575 0.84 MERTK (0.46) DDR2KDRAURKBMERTKJAK3

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-20240051945-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS, AND MEDICINAL APPLICATIONS THEREOF BLUEPRINT MEDICINES CORPORATION 2024-02-15 — — US disclosed
EP-4237418-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS, AND MEDICINAL APPLICATIONS THEREOF Blueprint Medicines Corporation (US) 2023-09-06 — — EP disclosed
WO-2022094354-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS, AND MEDICINAL APPLICATIONS THEREOF LENGO THERAPEUTICS, INC. (US) 2022-05-05 — — 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-20240051945-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS, AND MEDICINAL APPLICATIONS THEREOF TYMP, DPYD, TYMS DDR2 3832/4885KDR 2159/4885AURKB 444/4885

“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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