SCHEMBL4286030

SCHEMBL4286030

Cc1cc(Nc2nccc(-c3cnc(N4CCOCC4)cn3)n2)ccc1N1CC2CC1CN2C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMG1 Q96Q15 8/20 0.45
CDK2 P24941 4/20 0.45
CDK1 P06493 2/20 0.45
JAK2 O60674 3/20 0.44
ZAP70 P43403 1/20 0.42
MAPT P10636 1/20 0.42
CHRNA7 P36544 3/20 0.42
KCNH2 Q12809 3/20 0.42
MTOR P42345 2/20 0.41
KDR P35968 1/20 0.41
PTK2 Q05397 1/20 0.41
AURKA O14965 1/20 0.40
CDK4 P11802 1/20 0.40
AURKB Q96GD4 1/20 0.40
JAK3 P52333 1/20 0.39

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
SCHEMBL4279469 1.00 SMG1 (0.45) SMG1CDK2CDK1JAK2ZAP70
SCHEMBL4286262 0.91 JAK2 (0.47) SMG1CDK2CDK1JAK2ZAP70
SCHEMBL4277860 0.91 JAK2 (0.47) SMG1CDK2CDK1JAK2ZAP70
SCHEMBL4278615 0.90 ZAP70 (0.55) SMG1CDK2CDK1JAK2ZAP70
SCHEMBL4290659 0.90 ZAP70 (0.55) SMG1CDK2CDK1JAK2ZAP70
SCHEMBL4282425 0.90 ZAP70 (0.55) SMG1CDK2CDK1JAK2ZAP70
SCHEMBL4279906 0.88 ZAP70 (0.45) SMG1CDK2CDK1JAK2ZAP70
SCHEMBL4285136 0.88 ZAP70 (0.45) SMG1CDK2CDK1JAK2ZAP70
SCHEMBL4279939 0.87 ZAP70 (0.53) SMG1CDK2CDK1JAK2ZAP70
SCHEMBL4282077 0.87 ZAP70 (0.53) SMG1CDK2CDK1JAK2ZAP70

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 6 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
WO-2013173506-A2 METHOD OF TREATING MUSCULAR DEGRADATION RIGEL PHARMACEUTICALS, INC. (US) 2013-11-21 WO 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 (2 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 SMG1 565/4885CDK2 13/4885CDK1 32/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 SMG1 490/4885CDK2 6/4885CDK1 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.