SCHEMBL29526333

SCHEMBL29526333

COc1cc(N2CCC(N3CCOCC3)CC2)ccc1Nc1ncc(C(N)=O)c(Nc2ccccc2Br)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 2/20 0.67
▸ MAPK9 P45984 2/20 0.67
▸ MAPK10 P53779 2/20 0.67
▸ ALK Q9UM73 9/20 0.66
▸ INSR P06213 6/20 0.66
▸ IGF1R P08069 6/20 0.66
▸ ULK1 O75385 2/20 0.65
▸ CAMK2D Q13557 2/20 0.60
▸ PLK1 P53350 2/20 0.58
▸ EGFR P00533 3/20 0.58
▸ FGFR1 P11362 2/20 0.58
▸ PTK2 Q05397 2/20 0.58
▸ CDC7 O00311 1/20 0.58
▸ PLK4 O00444 1/20 0.58
▸ CHEK1 O14757 1/20 0.58
▸ AURKA O14965 1/20 0.58
▸ DCLK1 O15075 1/20 0.58
▸ PDPK1 O15530 1/20 0.58
▸ DAPK3 O43293 1/20 0.58
▸ DYRK3 O43781 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
SCHEMBL29525992 0.86 EGFR (0.70) MAPK8MAPK9MAPK10ALKINSR
SCHEMBL15938455 0.81 SRC (0.74) MAPK8MAPK9MAPK10ALKINSR
SCHEMBL29045216 0.81 EGFR (0.80) ALKINSRIGF1REGFR
SCHEMBL26970203 0.81 MAP4K1 (0.76) MAP4K1
SCHEMBL30689946 0.81 MAP4K1 (0.76) MAP4K1
SCHEMBL31174596 0.80 ULK1 (0.87) MAPK8MAPK9MAPK10ALKINSR
SCHEMBL23378028 0.79 EGFR (0.81) MAPK8MAPK9MAPK10ALKINSR
SCHEMBL17547465 0.79 ULK1 (1.00) MAPK8MAPK9MAPK10ALKINSR
SCHEMBL15938272 0.79 MAPK8 (0.69) MAPK8MAPK9MAPK10ALKINSR
SCHEMBL30957977 0.78 TTK (0.61) ALKINSRIGF1RULK1CAMK2D

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4240362-A1 DIAMINOPYRIMIDINE CARBOXAMIDE INHIBITORS OF HPK1 Merck Sharp & Dohme LLC (US) 2023-09-13 — — EP claimed
WO-2022098809-A1 DIAMINOPYRIMIDINE CARBOXAMIDE INHIBITORS OF HPK1 MERCK SHARP & DOHME CORP. (US) 2022-05-12 — — WO claimed
US-20230416225-A1 DIAMINOPYRIMIDINE CARBOXAMIDE INHIBITORS OF HPK1 MERCK SHARP & DOHME LLC (US) 2023-12-28 — — US disclosed
EP-4240362-A1 DIAMINOPYRIMIDINE CARBOXAMIDE INHIBITORS OF HPK1 Merck Sharp & Dohme LLC (US) 2023-09-13 — — EP disclosed
WO-2022098809-A1 DIAMINOPYRIMIDINE CARBOXAMIDE INHIBITORS OF HPK1 MERCK SHARP & DOHME CORP. (US) 2022-05-12 — — 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-20230416225-A1 DIAMINOPYRIMIDINE CARBOXAMIDE INHIBITORS OF HPK1 PDXK, PHKG1, PHKG2 MAPK8 591/4885MAPK9 304/4885MAPK10 531/4885

“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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