SCHEMBL4286117

SCHEMBL4286117

Cc1cc(Nc2nccc(-c3ccc(N4C[C@H]5C[C@@H]4CO5)nc3)n2)ccc1N1C[C@@H]2C[C@H]1CN2C

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
STK17A Q9UEE5 2/20 0.45
CHRNA7 P36544 10/20 0.45
KCNH2 Q12809 9/20 0.45
MYLK4 Q86YV6 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
MAP3K12 Q12852 5/20 0.40
SYK P43405 1/20 0.39
ADK P55263 1/20 0.39
ZAP70 P43403 1/20 0.38

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
SCHEMBL4287029 1.00 STK17A (0.45) STK17ACHRNA7KCNH2MYLK4CLK4
SCHEMBL4278215 1.00 STK17A (0.45) STK17ACHRNA7KCNH2MYLK4CLK4
SCHEMBL4286106 0.94 STK17A (0.48) STK17AMYLK4CLK4MAP3K12SYK
SCHEMBL4276690 0.94 STK17A (0.48) STK17AMYLK4CLK4MAP3K12SYK
SCHEMBL4286056 0.90 STK17A (0.43) STK17AMYLK4CLK4MAP3K12SYK
SCHEMBL4280663 0.90 STK17A (0.43) STK17AMYLK4CLK4MAP3K12SYK
SCHEMBL4277203 0.90 STK17A (0.44) STK17ACHRNA7KCNH2MYLK4CLK4
SCHEMBL4277310 0.90 STK17A (0.44) STK17ACHRNA7KCNH2MYLK4CLK4
SCHEMBL4277287 0.86 STK17A (0.47) STK17AMYLK4CLK4MAP3K12SYK
SCHEMBL4291640 0.86 STK17A (0.47) STK17AMYLK4CLK4MAP3K12SYK

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 STK17A 247/4885CHRNA7 4430/4885KCNH2 2389/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 STK17A 213/4885CHRNA7 4409/4885KCNH2 3103/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 STK17A 229/4885CHRNA7 4368/4885KCNH2 3162/4885

“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.