SCHEMBL29525992

SCHEMBL29525992

COc1cc(N2CCNCC2)ccc1Nc1ncc(C(N)=O)c(Nc2ccccc2Br)n1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 4/20 0.70
▸ MAP4K1 Q92918 2/20 0.63
▸ ALK Q9UM73 11/20 0.63
▸ ULK1 O75385 1/20 0.62
▸ MAPK8 P45983 1/20 0.62
▸ MAPK9 P45984 1/20 0.62
▸ MAPK10 P53779 1/20 0.62
▸ INSR P06213 1/20 0.57
▸ IGF1R P08069 1/20 0.57
▸ DCLK1 O15075 1/20 0.55
▸ MAPK7 Q13164 1/20 0.55
▸ LRRK2 Q5S007 1/20 0.55

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
SCHEMBL29526333 0.86 MAPK8 (0.67) EGFRMAP4K1ALKULK1MAPK8
SCHEMBL26970238 0.83 MAP4K1 (0.61) EGFRMAP4K1ALKULK1MAPK8
SCHEMBL30689974 0.83 MAP4K1 (0.61) EGFRMAP4K1ALKULK1MAPK8
SCHEMBL21847027 0.82 EGFR (1.00) EGFRALKULK1LRRK2
SCHEMBL30689961 0.82 EGFR (0.63) EGFRMAP4K1ALKIGF1R
SCHEMBL26970210 0.82 EGFR (0.63) EGFRMAP4K1ALKIGF1R
SCHEMBL29526496 0.80 MAP4K1 (0.73) MAP4K1ALK
SCHEMBL31276403 0.80 ALK (0.84) EGFRMAP4K1ALKULK1MAPK8
SCHEMBL26970277 0.80 MAP4K1 (0.73) MAP4K1ALK
SCHEMBL15938455 0.78 SRC (0.74) EGFRALKULK1MAPK8MAPK9

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 EGFR 4265/4885MAP4K1 59/4885ALK 3581/4885

“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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