SCHEMBL26970210

SCHEMBL26970210

COc1cc(C2CCNC2)ccc1Nc1ncc(C(N)=O)c(Nc2ccccc2Br)n1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 8/20 0.63
▸ MAP4K1 Q92918 5/20 0.58
▸ MET P08581 1/20 0.54
▸ CAMK2D Q13557 2/20 0.52
▸ ALK Q9UM73 2/20 0.52
▸ FLT4 P35916 2/20 0.49
▸ PTK2 Q05397 2/20 0.49
▸ IGF1R P08069 1/20 0.47

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
SCHEMBL30689961 1.00 EGFR (0.63) EGFRMAP4K1METCAMK2DALK
SCHEMBL30689974 0.94 MAP4K1 (0.61) EGFRMAP4K1METALKIGF1R
SCHEMBL26970238 0.94 MAP4K1 (0.61) EGFRMAP4K1METALKIGF1R
SCHEMBL26970215 0.83 EGFR (0.67) EGFRMAP4K1METCAMK2DALK
SCHEMBL29526468 0.83 EGFR (0.67) EGFRMAP4K1METCAMK2DALK
SCHEMBL29525992 0.82 EGFR (0.70) EGFRMAP4K1ALKIGF1R
SCHEMBL29526496 0.79 MAP4K1 (0.73) MAP4K1ALK
SCHEMBL26970277 0.79 MAP4K1 (0.73) MAP4K1ALK
SCHEMBL21846993 0.77 EGFR (1.00) EGFRMETALK
SCHEMBL29526647 0.77 MAP4K1 (0.65) MAP4K1ALKIGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230416225-A1 DIAMINOPYRIMIDINE CARBOXAMIDE INHIBITORS OF HPK1 MERCK SHARP & DOHME LLC (US) 2023-12-28 — — 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-20230416225-A1 DIAMINOPYRIMIDINE CARBOXAMIDE INHIBITORS OF HPK1 PDXK, PHKG1, PHKG2 EGFR 4265/4885MAP4K1 59/4885MET 3027/4885

“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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