SCHEMBL4279906

SCHEMBL4279906

CN1C[C@@H]2C[C@H]1CN2c1ccc(Nc2nccc(-c3cnc(N4CCOCC4)cn3)n2)cn1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 1/20 0.45
CHRNA7 P36544 7/20 0.44
KCNH2 Q12809 7/20 0.44
SMG1 Q96Q15 5/20 0.43
JAK2 O60674 4/20 0.42
MTOR P42345 1/20 0.42
CDK2 P24941 3/20 0.41
CDK1 P06493 1/20 0.41
KDR P35968 1/20 0.41
PTK2 Q05397 1/20 0.41
AURKA O14965 1/20 0.41
CDK4 P11802 1/20 0.41
AURKB Q96GD4 1/20 0.41
JAK3 P52333 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
SCHEMBL4285136 1.00 ZAP70 (0.45) ZAP70CHRNA7KCNH2SMG1JAK2
SCHEMBL4279469 0.88 SMG1 (0.45) ZAP70CHRNA7KCNH2SMG1JAK2
SCHEMBL4286030 0.88 SMG1 (0.45) ZAP70CHRNA7KCNH2SMG1JAK2
SCHEMBL4277860 0.88 JAK2 (0.47) ZAP70CHRNA7KCNH2SMG1JAK2
SCHEMBL4286262 0.88 JAK2 (0.47) ZAP70CHRNA7KCNH2SMG1JAK2
SCHEMBL4278682 0.84 JAK2 (0.49) ZAP70CHRNA7KCNH2SMG1JAK2
SCHEMBL4277855 0.84 JAK2 (0.49) ZAP70CHRNA7KCNH2SMG1JAK2
SCHEMBL4277001 0.82 ZAP70 (0.56) ZAP70SMG1JAK2CDK2JAK3
SCHEMBL4276576 0.82 ZAP70 (0.56) ZAP70SMG1JAK2CDK2JAK3
SCHEMBL4278615 0.79 ZAP70 (0.55) ZAP70SMG1JAK2MTORCDK2

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 ZAP70 24/4885CHRNA7 4430/4885KCNH2 2389/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 ZAP70 43/4885CHRNA7 4409/4885KCNH2 3103/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 ZAP70 49/4885CHRNA7 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.