SCHEMBL1002779

SCHEMBL1002779

Cc1cc(Nc2ncc(F)c(NC3CC=CCC3C(N)=O)n2)ccc1N1CCN(C)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 4/20 0.68
FLT3 P36888 3/20 0.68
KDR P35968 2/20 0.68
BTK Q06187 2/20 0.68
TNK2 Q07912 2/20 0.68
AXL P30530 2/20 0.68
JAK2 O60674 2/20 0.68
SYK P43405 2/20 0.68
EGFR P00533 2/20 0.68
CDC7 O00311 1/20 0.68
PLK4 O00444 1/20 0.68
CHEK1 O14757 1/20 0.68
AURKA O14965 1/20 0.68
DCLK1 O15075 1/20 0.68
PDPK1 O15530 1/20 0.68
DAPK3 O43293 1/20 0.68
ROCK2 O75116 1/20 0.68
PRKD3 O94806 1/20 0.68
MAP4K4 O95819 1/20 0.68
PAK4 O96013 1/20 0.68

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
SCHEMBL12565396 1.00 JAK3 (0.68) JAK3FLT3KDRBTKTNK2
SCHEMBL15180535 1.00 JAK3 (0.68) JAK3FLT3KDRBTKTNK2
SCHEMBL1000617 1.00 JAK3 (0.68) JAK3FLT3KDRBTKTNK2
SCHEMBL12927159 1.00 JAK3 (0.68) JAK3FLT3KDRBTKTNK2
SCHEMBL3550567 0.90 JAK3 (0.69) JAK3FLT3KDRBTKTNK2
SCHEMBL1001774 0.90 JAK3 (0.69) JAK3FLT3KDRBTKTNK2
SCHEMBL12927255 0.90 JAK3 (0.69) JAK3FLT3KDRBTKTNK2
SCHEMBL1003984 0.89 KDR (0.68) JAK3FLT3KDRBTKTNK2
SCHEMBL1001658 0.89 SYK (0.68) JAK3FLT3KDRBTKTNK2
SCHEMBL12565023 0.89 SYK (0.68) JAK3FLT3KDRBTKTNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7754714-B2 (1S, 2R)-N4-(2-Aminocarbonylcyclopent-1-yl)-5-fluoro-N2-[4-(4-methylpiperazin-1-yl)-3-methylphenyl]-2,4-pyrimidinediamine, having antiproliferative activity, used to inhibit cellular proliferation and to treat proliferate diseases such as cancers RIGEL PHARMACEUTICALS, INC. (US) 2010-07-13 US claimed
US-9725419-B2 Cycloalkyl substituted pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2017-08-08 US disclosed
US-9725419-B2 Cycloalkyl substituted pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2017-08-08 US disclosed
US-20130210814-A1 Cycloalkyl Substituted Pyrimidinediamine Compounds And Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2013-08-15 US disclosed
US-8410093-B2 Cycloalkyl substituted pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2013-04-02 US disclosed
US-20110152518-A1 Cycloalkyl Substituted Pyrimidinediamine Compounds And Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2011-06-23 US disclosed
US-20110152518-A1 Cycloalkyl Substituted Pyrimidinediamine Compounds And Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2011-06-23 US disclosed
US-7868013-B2 Cycloalkyl substituted pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2011-01-11 US disclosed
US-7858633-B2 Cycloalkyl substituted pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2010-12-28 US disclosed
US-7858633-B2 Cycloalkyl substituted pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2010-12-28 US disclosed
US-7858633-B2 Cycloalkyl substituted pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2010-12-28 US disclosed
US-7754714-B2 (1S, 2R)-N4-(2-Aminocarbonylcyclopent-1-yl)-5-fluoro-N2-[4-(4-methylpiperazin-1-yl)-3-methylphenyl]-2,4-pyrimidinediamine, having antiproliferative activity, used to inhibit cellular proliferation and to treat proliferate diseases such as cancers RIGEL PHARMACEUTICALS, INC. (US) 2010-07-13 US disclosed
US-20080009494-A1 Cycloalkyl Substituted Pyrimidinediamine Compounds And Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2008-01-10 US disclosed
US-20080009494-A1 Cycloalkyl Substituted Pyrimidinediamine Compounds And Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2008-01-10 US disclosed
US-20080009494-A1 Cycloalkyl Substituted Pyrimidinediamine Compounds And Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2008-01-10 US disclosed
US-20070299060-A1 Cycloalkyl Substituted Pyrimidinediamine Compounds And Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2007-12-27 US disclosed
US-20060035891-A1 Cycloalkyl substituted pyrimidinediamine compounds and their uses MIDCAP FINANCIAL TRUST 2006-02-16 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 (5 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-20110152518-A1 Cycloalkyl Substituted Pyrimidinediamine Compounds And Their Uses MKI67, PCNA, TK1 JAK3 2761/4885FLT3 515/4885KDR 1710/4885
US-20070299060-A1 Cycloalkyl Substituted Pyrimidinediamine Compounds And Their Uses MKI67, PCNA, TK1 JAK3 2761/4885FLT3 515/4885KDR 1710/4885
US-20080009494-A1 Cycloalkyl Substituted Pyrimidinediamine Compounds And Their Uses MKI67, PCNA, TK1 JAK3 2761/4885FLT3 515/4885KDR 1710/4885
US-20060035891-A1 Cycloalkyl substituted pyrimidinediamine compounds and their uses MKI67, PCNA, TK1 JAK3 2761/4885FLT3 515/4885KDR 1710/4885
US-20130210814-A1 Cycloalkyl Substituted Pyrimidinediamine Compounds And Their Uses MKI67, PCNA, TK1 JAK3 2761/4885FLT3 515/4885KDR 1710/4885

“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.