SCHEMBL2519305

SCHEMBL2519305

CCCN1C(=O)COc2ccc(Nc3nc(Nc4ccc(N5CCOCC5)c(C(F)(F)F)c4)ncc3F)nc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 4/20 0.42
▸ JAK2 O60674 2/20 0.41
▸ JAK3 P52333 2/20 0.41
▸ CDK2 P24941 2/20 0.40
▸ CCNT1 O60563 1/20 0.40
▸ CCNE1 P24864 1/20 0.40
▸ CDK9 P50750 1/20 0.40
▸ CSF1R P07333 2/20 0.39
▸ CDK4 P11802 2/20 0.39
▸ CDK6 Q00534 2/20 0.39
▸ BRD4 O60885 2/20 0.39
▸ FLT3 P36888 3/20 0.39
▸ BTK Q06187 2/20 0.39
▸ AURKA O14965 1/20 0.39
▸ AURKB Q96GD4 1/20 0.39
▸ CHEK1 O14757 1/20 0.39
▸ MAPK9 P45984 1/20 0.39
▸ MAPK10 P53779 1/20 0.39
▸ EGFR P00533 1/20 0.39
▸ ITK Q08881 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
SCHEMBL12854544 0.94 BRD4 (0.46) CDK2CSF1RCDK4BRD4FLT3
SCHEMBL12854537 0.93 CDK4 (0.44) SYKCDK2CCNE1CSF1RCDK4
SCHEMBL12854536 0.91 BRD4 (0.42) SYKJAK2CDK2CCNT1CDK9
SCHEMBL12854532 0.87 BRD4 (0.54) JAK2JAK3CDK2CDK4BRD4
SCHEMBL12854464 0.78 WEE1 (0.49) SYKJAK2JAK3CDK2CSF1R
SCHEMBL2524895 0.77 SYK (0.56) SYKJAK2CDK2CCNT1CCNE1
SCHEMBL12854502 0.76 FLT3 (0.49) SYKJAK2JAK3CDK2CSF1R
SCHEMBL12854491 0.76 TNK2 (0.48) SYKJAK2JAK3CDK2CSF1R
SCHEMBL12213105 0.75 SYK (0.54) SYKJAK2CDK2CCNT1CCNE1
SCHEMBL12854492 0.75 TNK2 (0.47) SYKJAK2JAK3CDK2CSF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-20110251177-A1 2, 4-PYRIMIDINEDIAMINE COMPOUNDS AND PRODRUGS THEREOF AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2011-10-13 — — 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 1871/4885JAK2 1672/4885JAK3 2636/4885

“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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