SCHEMBL4277136

SCHEMBL4277136

Cc1cc(Nc2nccc(-c3ccc(N4CCOCC4)nc3)n2)ccc1N1CC2CC1CN2CC1CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 4/20 0.51
SMG1 Q96Q15 6/20 0.44
CDK1 P06493 2/20 0.44
CDK2 P24941 2/20 0.44
JAK2 O60674 9/20 0.43
JAK3 P52333 5/20 0.42
HDAC8 Q9BY41 2/20 0.41
MTOR P42345 1/20 0.41
HDAC3 O15379 1/20 0.41
NCOR1 O75376 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL4282362 1.00 ZAP70 (0.51) ZAP70SMG1CDK1CDK2JAK2
SCHEMBL4286944 0.92 ZAP70 (0.53) ZAP70SMG1CDK1CDK2JAK2
SCHEMBL4281623 0.92 ZAP70 (0.53) ZAP70SMG1CDK1CDK2JAK2
SCHEMBL4284360 0.91 ZAP70 (0.51) ZAP70SMG1CDK1CDK2JAK2
SCHEMBL4289459 0.91 ZAP70 (0.51) ZAP70SMG1CDK1CDK2JAK2
SCHEMBL4283102 0.89 ZAP70 (0.50) ZAP70SMG1CDK1CDK2JAK2
SCHEMBL4287840 0.89 ZAP70 (0.50) ZAP70SMG1CDK1CDK2JAK2
SCHEMBL4278615 0.89 ZAP70 (0.55) ZAP70SMG1CDK1CDK2JAK2
SCHEMBL4290659 0.89 ZAP70 (0.55) ZAP70SMG1CDK1CDK2JAK2
SCHEMBL4282425 0.89 ZAP70 (0.55) ZAP70SMG1CDK1CDK2JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017007658-A1 A COMBINATION FOR IMMUNE MEDIATED CANCER TREATMENT RIGEL PHARMACEUTICALS, INC. (US) 2017-01-12 WO claimed
US-9624229-B2 Pyrimidine-2-amine compounds and their use as inhibitors of JAK kinases RIGEL PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
WO-2017007658-A1 A COMBINATION FOR IMMUNE MEDIATED CANCER TREATMENT RIGEL PHARMACEUTICALS, INC. (US) 2017-01-12 WO 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 24/4885SMG1 565/4885CDK1 32/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 ZAP70 43/4885SMG1 527/4885CDK1 13/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 ZAP70 49/4885SMG1 490/4885CDK1 13/4885

“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.