SCHEMBL21802136

SCHEMBL21802136

Nc1nc(N)c(F)c(-c2ccc(O)c(F)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CG P48736 3/20 0.47
▸ PIK3CD O00329 1/20 0.45
▸ ABL1 P00519 1/20 0.45
▸ EGFR P00533 1/20 0.45
▸ HCK P08631 1/20 0.45
▸ SRC P12931 1/20 0.45
▸ KDR P35968 1/20 0.45
▸ PIK3CA P42336 1/20 0.45
▸ PIK3CB P42338 1/20 0.45
▸ MTOR P42345 1/20 0.45
▸ EPHB4 P54760 1/20 0.45
▸ PRKDC P78527 1/20 0.45
▸ PI4KB Q9UBF8 1/20 0.45
▸ ESR1 P03372 8/20 0.44
▸ ESR2 Q92731 8/20 0.44
▸ FGFR1 P11362 1/20 0.41
▸ FGFR2 P21802 1/20 0.41
▸ HSD17B1 P14061 3/20 0.41
▸ HSD17B2 P37059 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.39

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
SCHEMBL27631669 0.84 ADORA2A (0.55) PIK3CGESR1ESR2HSD17B1HSD17B2
SCHEMBL27613037 0.84 PIK3CG (0.44) PIK3CGESR1ESR2FGFR1HSD17B1
SCHEMBL27631912 0.81 PIK3CG (0.44) PIK3CGPIK3CDABL1EGFRHCK
SCHEMBL27631800 0.81 MCL1 (0.48) PIK3CGKDRKDM4ELMNAHSD17B10
SCHEMBL27612401 0.81 ESR1 (0.42) PIK3CGESR1ESR2HSD17B1HSD17B2
SCHEMBL27612799 0.80 MAP4K4 (0.43) PIK3CGESR2LMNAHSD17B10NPC1
SCHEMBL27612872 0.80 PIK3CG (0.56) PIK3CGRPS6KA3
SCHEMBL27631926 0.79 PIK3CG (0.48) PIK3CGPIK3CDABL1EGFRHCK
SCHEMBL27631479 0.78 KIF11 (0.53) CYP11B1CYP11B2
SCHEMBL1116418 0.77 PIK3CG (0.60) PIK3CGPIK3CDABL1EGFRHCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200085820-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2020-03-19 — — US disclosed
CN-1678321-A Methods of treating or preventing autoimmune diseases with 2, 4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS INC (US) 2005-10-05 — — CN 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-20200085820-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A PIK3CG 281/4885PIK3CD 272/4885ABL1 476/4885

“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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