Sugi Predict

Sugi Predict / Compounds / SCHEMBL2519964

SCHEMBL2519964

SCHEMBL2519964

CC1CN(c2ccc(Nc3ncc(F)c(Nc4ccc5c(n4)NC(=O)CO5)n3)cn2)CC(C)O1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 8/20 0.56
▸ NR3C2 P08235 6/20 0.45
▸ LRRK2 Q5S007 6/20 0.43
▸ ADORA3 P0DMS8 2/20 0.43
▸ TYRO3 Q06418 2/20 0.43
▸ BMPR1B O00238 1/20 0.43
▸ CDC7 O00311 1/20 0.43
▸ PIK3CD O00329 1/20 0.43
▸ PLK4 O00444 1/20 0.43
▸ STK25 O00506 1/20 0.43
▸ CIT O14578 1/20 0.43
▸ RIOK3 O14730 1/20 0.43
▸ CHEK1 O14757 1/20 0.43
▸ IKBKB O14920 1/20 0.43
▸ AURKA O14965 1/20 0.43
▸ GAK O14976 1/20 0.43
▸ CHUK O15111 1/20 0.43
▸ MUSK O15146 1/20 0.43
▸ EPHB6 O15197 1/20 0.43
▸ MAPK13 O15264 1/20 0.43

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
SCHEMBL2519967 1.00 SYK (0.56) SYKNR3C2LRRK2ADORA3TYRO3
SCHEMBL2525441 0.91 NR3C2 (0.59) SYKNR3C2LRRK2ADORA3TYRO3
SCHEMBL2527764 0.91 NR3C2 (0.59) SYKNR3C2LRRK2ADORA3TYRO3
SCHEMBL12212923 0.91 SYK (0.55) SYKNR3C2LRRK2ADORA3TYRO3
SCHEMBL2525422 0.91 SYK (0.55) SYKNR3C2LRRK2ADORA3TYRO3
SCHEMBL2522224 0.87 SYK (0.57) SYKLRRK2ADORA3TYRO3BMPR1B
SCHEMBL2521531 0.87 SYK (0.60) SYKLRRK2ADORA3TYRO3BMPR1B
SCHEMBL12213084 0.87 SYK (0.60) SYKLRRK2ADORA3TYRO3BMPR1B
SCHEMBL2519219 0.86 SYK (0.56) SYKNR3C2LRRK2ADORA3TYRO3
SCHEMBL2520502 0.86 SYK (0.53) SYKNR3C2LRRK2ADORA3TYRO3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2558474-B1 2, 4-PYRIMIDINEDIAMINE COMPOUNDS AND PRODRUGS THEREOF AND THEIR USES RIGEL PHARMACEUTICALS INC (US) 2015-11-25 — — EP claimed
US-8618095-B2 2, 4-pyrimidinediamine compounds and prodrugs thereof and their uses RIGEL PHARMACEUTICALS, INC. (US) 2013-12-31 — — US claimed
US-20110251177-A1 2, 4-PYRIMIDINEDIAMINE COMPOUNDS AND PRODRUGS THEREOF AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2011-10-13 — — US claimed
EP-2558474-B1 2, 4-PYRIMIDINEDIAMINE COMPOUNDS AND PRODRUGS THEREOF AND THEIR USES RIGEL PHARMACEUTICALS INC (US) 2015-11-25 — — EP disclosed
US-8618095-B2 2, 4-pyrimidinediamine compounds and prodrugs thereof and their uses RIGEL PHARMACEUTICALS, INC. (US) 2013-12-31 — — US disclosed
US-20110251177-A1 2, 4-PYRIMIDINEDIAMINE COMPOUNDS AND PRODRUGS THEREOF AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2011-10-13 — — 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-20110251177-A1 2, 4-PYRIMIDINEDIAMINE COMPOUNDS AND PRODRUGS THEREOF AND THEIR USES TYMP, DPYD, TYMS SYK 1871/4885NR3C2 4364/4885LRRK2 2822/4885

“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.