SCHEMBL4281318

SCHEMBL4281318

Cc1cc(Nc2nccc(-c3ccc(N4CCOCC4)nc3)n2)ccc1N1CC2CC1CO2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 5/20 0.54
SMG1 Q96Q15 6/20 0.47
CDK1 P06493 2/20 0.47
CDK2 P24941 2/20 0.47
STK17A Q9UEE5 2/20 0.46
JAK2 O60674 6/20 0.46
MYLK4 Q86YV6 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
JAK3 P52333 3/20 0.44
ATR Q13535 1/20 0.43
ATRIP Q8WXE1 1/20 0.43
MTOR P42345 1/20 0.43
HDAC3 O15379 1/20 0.43
NCOR1 O75376 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL4279074 1.00 ZAP70 (0.54) ZAP70SMG1CDK1CDK2STK17A
SCHEMBL4290873 0.97 ZAP70 (0.51) ZAP70SMG1CDK1CDK2STK17A
SCHEMBL4280710 0.97 ZAP70 (0.51) ZAP70SMG1CDK1CDK2STK17A
SCHEMBL4286106 0.91 STK17A (0.48) ZAP70STK17AMYLK4CLK4
SCHEMBL4276690 0.91 STK17A (0.48) ZAP70STK17AMYLK4CLK4
SCHEMBL4277985 0.91 STK17A (0.47) SMG1CDK1CDK2STK17AJAK2
SCHEMBL4279975 0.91 STK17A (0.47) SMG1CDK1CDK2STK17AJAK2
SCHEMBL4422212 0.89 STK17A (0.45) ZAP70STK17AMYLK4CLK4PRKD3
SCHEMBL4426176 0.89 STK17A (0.45) ZAP70STK17AMYLK4CLK4PRKD3
SCHEMBL4426180 0.89 STK17A (0.45) ZAP70STK17AMYLK4CLK4PRKD3

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 24/4885SMG1 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.