SCHEMBL4284726

SCHEMBL4284726

CN1CC2CC1CN2c1ccc(Nc2nccc(-c3ccc(N4CCOCC4)nc3)n2)cc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.55
JAK3 P52333 2/20 0.55
ZAP70 P43403 1/20 0.53
CCNA2 P20248 8/20 0.52
CDK2 P24941 8/20 0.52
CCNA1 P78396 8/20 0.52
CDK4 P11802 4/20 0.50
CCND3 P30281 4/20 0.50
GSK3B P49841 4/20 0.50
PIM1 P11309 3/20 0.50
MTOR P42345 3/20 0.48
SMG1 Q96Q15 1/20 0.47
SYK P43405 1/20 0.45

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
SCHEMBL4286112 1.00 JAK2 (0.55) JAK2JAK3ZAP70CCNA2CDK2
SCHEMBL4277479 0.90 ZAP70 (0.57) JAK2JAK3ZAP70CDK2SMG1
SCHEMBL4279761 0.90 ZAP70 (0.57) JAK2JAK3ZAP70CDK2SMG1
SCHEMBL4278706 0.90 ZAP70 (0.57) JAK2JAK3ZAP70CDK2SMG1
SCHEMBL4290659 0.89 ZAP70 (0.55) JAK2JAK3ZAP70CDK2MTOR
SCHEMBL4278615 0.89 ZAP70 (0.55) JAK2JAK3ZAP70CDK2MTOR
SCHEMBL4282425 0.89 ZAP70 (0.55) JAK2JAK3ZAP70CDK2MTOR
SCHEMBL4277890 0.89 ZAP70 (0.55) JAK2JAK3ZAP70CDK2MTOR
SCHEMBL4284647 0.89 ZAP70 (0.55) JAK2JAK3ZAP70CDK2MTOR
SCHEMBL4279939 0.87 ZAP70 (0.53) JAK2JAK3ZAP70CDK2MTOR

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 JAK2 1/4885JAK3 3/4885ZAP70 24/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 JAK2 1/4885JAK3 3/4885ZAP70 43/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 JAK2 1/4885JAK3 3/4885ZAP70 49/4885

“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.