SCHEMBL4286591

SCHEMBL4286591

CN1C[C@@H]2C[C@H]1CN2c1ccc(Nc2nccc(-c3cnc(N4CCOCC4)nc3)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 17/20 0.54
JAK3 P52333 8/20 0.53
MYLK4 Q86YV6 2/20 0.53
STK17A Q9UEE5 2/20 0.53
JAK1 P23458 3/20 0.50
TYK2 P29597 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC3 O15379 1/20 0.50
NCOR1 O75376 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
CDK2 P24941 2/20 0.47
BMPR1B O00238 1/20 0.47
PLK4 O00444 1/20 0.47
CIT O14578 1/20 0.47
GAK O14976 1/20 0.47
OPA1 O60313 1/20 0.47
ROCK2 O75116 1/20 0.47
STK16 O75716 1/20 0.47

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
SCHEMBL4288781 1.00 JAK2 (0.54) JAK2JAK3MYLK4STK17AJAK1
SCHEMBL4277001 0.90 ZAP70 (0.56) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL4276576 0.90 ZAP70 (0.56) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL4277470 0.88 JAK2 (0.49) JAK2JAK3MYLK4STK17AJAK1
SCHEMBL4288821 0.88 JAK2 (0.49) JAK2JAK3MYLK4STK17AJAK1
SCHEMBL4284722 0.88 JAK2 (0.51) JAK2JAK3MYLK4STK17ACDK2
SCHEMBL4279938 0.88 JAK2 (0.51) JAK2JAK3MYLK4STK17ACDK2
SCHEMBL4277083 0.84 JAK2 (0.47) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL4284529 0.84 JAK2 (0.47) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL4279822 0.82 JAK2 (0.50) JAK2JAK3JAK1TYK2HDAC1

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 JAK2 4729/4885JAK3 4792/4885MYLK4 334/4885
US-20140213585-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 JAK2 1/4885JAK3 3/4885MYLK4 1575/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 JAK2 1/4885JAK3 3/4885MYLK4 1855/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 JAK2 1/4885JAK3 3/4885MYLK4 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.