SCHEMBL4282008

SCHEMBL4282008

CCNC(=O)N1CC2CC1CN2c1ccc(Nc2nccc(-c3ccc(N4CCOCC4)nc3)n2)cc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 1/20 0.49
JAK2 O60674 15/20 0.45
JAK3 P52333 7/20 0.45
TYK2 P29597 7/20 0.44
HDAC8 Q9BY41 2/20 0.43
JAK1 P23458 6/20 0.43
CDK2 P24941 2/20 0.42
HDAC1 Q13547 2/20 0.42
CDK1 P06493 1/20 0.42
SMG1 Q96Q15 1/20 0.42
HDAC3 O15379 1/20 0.42
NCOR1 O75376 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
BMPR1B O00238 1/20 0.42
PLK4 O00444 1/20 0.42
CIT O14578 1/20 0.42
GAK O14976 1/20 0.42
OPA1 O60313 1/20 0.42
ROCK2 O75116 1/20 0.42

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
SCHEMBL4281030 1.00 ZAP70 (0.49) ZAP70JAK2JAK3TYK2HDAC8
SCHEMBL4277261 0.92 ZAP70 (0.50) ZAP70JAK2JAK3TYK2HDAC8
SCHEMBL4282476 0.92 ZAP70 (0.50) ZAP70JAK2JAK3TYK2HDAC8
SCHEMBL14576058 0.88 ZAP70 (0.51) ZAP70JAK2JAK3TYK2HDAC8
SCHEMBL4283235 0.88 ZAP70 (0.51) ZAP70JAK2JAK3TYK2HDAC8
SCHEMBL4286944 0.87 ZAP70 (0.53) ZAP70JAK2JAK3TYK2HDAC8
SCHEMBL4281623 0.87 ZAP70 (0.53) ZAP70JAK2JAK3TYK2HDAC8
SCHEMBL4278615 0.87 ZAP70 (0.55) ZAP70JAK2JAK3TYK2HDAC8
SCHEMBL4282425 0.87 ZAP70 (0.55) ZAP70JAK2JAK3TYK2HDAC8
SCHEMBL4290659 0.87 ZAP70 (0.55) ZAP70JAK2JAK3TYK2HDAC8

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 8 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
WO-2013173506-A2 METHOD OF TREATING MUSCULAR DEGRADATION RIGEL PHARMACEUTICALS, INC. (US) 2013-11-21 WO 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 24/4885JAK2 1/4885JAK3 3/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 ZAP70 43/4885JAK2 1/4885JAK3 3/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 ZAP70 49/4885JAK2 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.