SCHEMBL4277985

SCHEMBL4277985

Cc1cc(Nc2nccc(-c3cnc(N4CCOCC4)nc3)n2)ccc1N1C[C@@H]2C[C@H]1CO2

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
STK17A Q9UEE5 4/20 0.47
JAK2 O60674 2/20 0.47
MYLK4 Q86YV6 3/20 0.47
CLK4 Q9HAZ1 1/20 0.47
MAP3K12 Q12852 11/20 0.46
MAPT P10636 1/20 0.46
CDK1 P06493 1/20 0.44
CDK2 P24941 1/20 0.44
SMG1 Q96Q15 1/20 0.44

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
SCHEMBL4279975 1.00 STK17A (0.47) STK17AJAK2MYLK4CLK4MAP3K12
SCHEMBL4281318 0.91 ZAP70 (0.54) STK17AJAK2MYLK4CLK4CDK1
SCHEMBL4279074 0.91 ZAP70 (0.54) STK17AJAK2MYLK4CLK4CDK1
SCHEMBL4280710 0.88 ZAP70 (0.51) STK17AJAK2MYLK4CLK4MAP3K12
SCHEMBL4290873 0.88 ZAP70 (0.51) STK17AJAK2MYLK4CLK4MAP3K12
SCHEMBL4288821 0.87 JAK2 (0.49) STK17AJAK2MYLK4MAPTCDK1
SCHEMBL4277470 0.87 JAK2 (0.49) STK17AJAK2MYLK4MAPTCDK1
SCHEMBL4286106 0.84 STK17A (0.48) STK17AMYLK4CLK4MAP3K12
SCHEMBL4276690 0.84 STK17A (0.48) STK17AMYLK4CLK4MAP3K12
SCHEMBL4283925 0.82 STK17A (0.46) STK17AJAK2MYLK4CLK4MAP3K12

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
US-20130310340-A1 METHOD OF TREATING MUSCULAR DEGRADATION RIGEL PHARMACEUTICALS, INC. (US) 2013-11-21 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 (4 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-20130310340-A1 METHOD OF TREATING MUSCULAR DEGRADATION PYGM, CKMT1A; CKMT1B, SMN1; SMN2 STK17A 3111/4885JAK2 4729/4885MYLK4 334/4885
US-20140213585-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 STK17A 247/4885JAK2 1/4885MYLK4 1575/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 STK17A 213/4885JAK2 1/4885MYLK4 1855/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 STK17A 229/4885JAK2 1/4885MYLK4 1872/4885

“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.