SCHEMBL26970232

SCHEMBL26970232

COc1cc(Br)ccc1Nc1ncc(C(N)=O)c(Nc2ccccc2C(F)(F)F)n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 13/20 0.66
JAK2 O60674 1/20 0.53
JAK1 P23458 1/20 0.53
TYK2 P29597 1/20 0.53
JAK3 P52333 1/20 0.53
ALK Q9UM73 2/20 0.51
INSR P06213 1/20 0.51
IGF1R P08069 1/20 0.51
MAPK8 P45983 1/20 0.51
MAPK9 P45984 1/20 0.51
CDC7 O00311 1/20 0.49
ROCK2 O75116 1/20 0.49
MAP4K4 O95819 1/20 0.49
PIM1 P11309 1/20 0.49
PRKACA P17612 1/20 0.49
CDK7 P50613 1/20 0.49
CDK9 P50750 1/20 0.49
HIPK2 Q9H2X6 1/20 0.49
IRAK4 Q9NWZ3 1/20 0.49
PTK2 Q05397 2/20 0.49

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
SCHEMBL29526485 1.00 MAP4K1 (0.66) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL29526451 0.89 MAP4K1 (0.65) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL29526468 0.83 EGFR (0.67) MAP4K1ALKPTK2FLT4
SCHEMBL26970215 0.83 EGFR (0.67) MAP4K1ALKPTK2FLT4
SCHEMBL31260517 0.82 PTK2 (0.61) JAK2TYK2JAK3ALKINSR
SCHEMBL29526494 0.82 MAP4K1 (0.70) MAP4K1ALK
SCHEMBL29525948 0.82 MAP4K1 (0.60) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL26970233 0.82 MAP4K1 (0.60) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL26970264 0.82 MAP4K1 (0.70) MAP4K1ALK
SCHEMBL31260508 0.81 PTK2 (0.71) JAK2TYK2JAK3ALKINSR

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 MAP4K1 59/4885JAK2 1068/4885JAK1 1576/4885

“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.