SCHEMBL4289317

SCHEMBL4289317

Cc1cc(Nc2nccc(-c3ccc(N4CCOCC4)nc3)n2)ccc1N1C2CCC1CC2

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 3/20 0.60
SMG1 Q96Q15 9/20 0.54
CDK1 P06493 3/20 0.54
CDK2 P24941 3/20 0.54
JAK2 O60674 8/20 0.52
MTOR P42345 3/20 0.50
JAK3 P52333 2/20 0.49

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
SCHEMBL4278188 0.94 ZAP70 (0.55) ZAP70SMG1CDK1CDK2JAK2
SCHEMBL4282411 0.92 ZAP70 (0.54) ZAP70SMG1CDK1CDK2JAK2
SCHEMBL4277766 0.90 ZAP70 (0.59) ZAP70SMG1CDK1CDK2JAK2
SCHEMBL15391103 0.88 ZAP70 (0.55) ZAP70SMG1CDK1CDK2JAK2
SCHEMBL4285952 0.88 ZAP70 (0.55) ZAP70SMG1CDK1CDK2JAK2
SCHEMBL4286096 0.88 ZAP70 (0.55) ZAP70SMG1CDK1CDK2JAK2
SCHEMBL4285965 0.88 ZAP70 (0.56) ZAP70SMG1CDK1CDK2JAK2
SCHEMBL4281783 0.86 ZAP70 (0.53) ZAP70SMG1CDK1CDK2JAK2
SCHEMBL4279038 0.86 ZAP70 (0.53) ZAP70SMG1CDK1CDK2JAK2
SCHEMBL4286122 0.86 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.