SCHEMBL4284740

SCHEMBL4284740

CN(C)c1ccc(-c2ccnc(Nc3ccc(N4C[C@@H]5C[C@H]4CN5C)cc3)n2)cn1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FGFR4 P22455 1/20 0.43
JAK2 O60674 13/20 0.42
JAK3 P52333 8/20 0.42
WEE1 P30291 1/20 0.42
MAPK8 P45983 1/20 0.40
MAPK10 P53779 1/20 0.40
JAK1 P23458 4/20 0.40
HDAC1 Q13547 2/20 0.40
TYK2 P29597 2/20 0.40
HDAC3 O15379 1/20 0.40
NCOR1 O75376 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL4286131 1.00 FGFR4 (0.43) FGFR4JAK2JAK3WEE1MAPK8
SCHEMBL4278617 0.89 CHRNA7 (0.48) TYK2
SCHEMBL4282062 0.89 CHRNA7 (0.48) TYK2
SCHEMBL4282165 0.88 PAK1 (0.43) JAK2JAK3JAK1
SCHEMBL4286098 0.88 PAK1 (0.43) JAK2JAK3JAK1
SCHEMBL4287090 0.87 PAK1 (0.44) JAK2JAK3
SCHEMBL4281749 0.87 PAK1 (0.44) JAK2JAK3
SCHEMBL4287608 0.85 CHRNA7 (0.37) JAK3JAK1TYK2
SCHEMBL4281091 0.85 JAK2 (0.39) JAK2JAK3JAK1
SCHEMBL4287037 0.85 JAK2 (0.39) JAK2JAK3JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9624229-B2 Pyrimidine-2-amine compounds and their use as inhibitors of JAK kinases RIGEL PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
EP-2265607-B1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICALS INC (US) 2016-12-14 EP disclosed
US-20140213585-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICALS, INC. (US) 2014-07-31 US disclosed
US-8735418-B2 Pyrimidine-2-amine compounds and their use as inhibitors of JAK kinases RIGEL PHARMACEUTICALS, INC. (US) 2014-05-27 US disclosed
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICAL, INC. (US) 2013-01-17 US disclosed
US-8309566-B2 Pyrimidine-2-amine compounds and their use as inhibitors of JAK kinases RIGEL PHARMACEUTICALS, INC. (US) 2012-11-13 US disclosed
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICALS, INC. (US) 2009-10-15 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 (3 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-20140213585-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 FGFR4 1086/4885JAK2 1/4885JAK3 3/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 FGFR4 744/4885JAK2 1/4885JAK3 3/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 FGFR4 727/4885JAK2 1/4885JAK3 3/4885

“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.