SCHEMBL4290873

SCHEMBL4290873

Cc1cc(Nc2nccc(-c3ccc(N4CCCOCC4)nc3)n2)ccc1N1CC2CC1CO2

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 5/20 0.51
SMG1 Q96Q15 4/20 0.44
STK17A Q9UEE5 3/20 0.44
CDK1 P06493 1/20 0.44
CDK2 P24941 1/20 0.44
JAK2 O60674 4/20 0.44
MAP3K12 Q12852 3/20 0.43
MYLK4 Q86YV6 2/20 0.42
CLK4 Q9HAZ1 1/20 0.42
ATR Q13535 1/20 0.42
ATRIP Q8WXE1 1/20 0.42
JAK3 P52333 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
SCHEMBL4280710 1.00 ZAP70 (0.51) ZAP70SMG1STK17ACDK1CDK2
SCHEMBL4279074 0.97 ZAP70 (0.54) ZAP70SMG1STK17ACDK1CDK2
SCHEMBL4281318 0.97 ZAP70 (0.54) ZAP70SMG1STK17ACDK1CDK2
SCHEMBL4286106 0.89 STK17A (0.48) ZAP70STK17AMAP3K12MYLK4CLK4
SCHEMBL4276690 0.89 STK17A (0.48) ZAP70STK17AMAP3K12MYLK4CLK4
SCHEMBL4282077 0.88 ZAP70 (0.53) ZAP70SMG1STK17ACDK1CDK2
SCHEMBL4279939 0.88 ZAP70 (0.53) ZAP70SMG1STK17ACDK1CDK2
SCHEMBL4277985 0.88 STK17A (0.47) SMG1STK17ACDK1CDK2JAK2
SCHEMBL4279975 0.88 STK17A (0.47) SMG1STK17ACDK1CDK2JAK2
SCHEMBL4426176 0.87 STK17A (0.45) ZAP70STK17AMAP3K12MYLK4CLK4

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 ZAP70 24/4885SMG1 565/4885STK17A 247/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 ZAP70 43/4885SMG1 527/4885STK17A 213/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 ZAP70 49/4885SMG1 490/4885STK17A 229/4885

“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.