SCHEMBL4290632

SCHEMBL4290632

CNC(=O)c1ccc(-c2ccnc(Nc3ccc(N4C[C@@H]5C[C@H]4CN5C)c(C)c3)n2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 3/20 0.42
MYLK4 Q86YV6 1/20 0.41
STK17A Q9UEE5 1/20 0.41
CDK4 P11802 1/20 0.41
CDKL1 Q00532 1/20 0.41
KCNH2 Q12809 1/20 0.41
PAK1 Q13153 1/20 0.40
JAK2 O60674 5/20 0.40
JAK1 P23458 5/20 0.40
TYK2 P29597 5/20 0.40
JAK3 P52333 2/20 0.40
SYK P43405 2/20 0.40
BRD4 O60885 1/20 0.40
CDK9 P50750 1/20 0.40
BTK Q06187 2/20 0.39
ABL1 P00519 1/20 0.39
KIT P10721 1/20 0.39
BCR P11274 1/20 0.39
MTOR P42345 1/20 0.39
MAPT P10636 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
SCHEMBL4277420 1.00 CDK2 (0.42) CDK2MYLK4STK17ACDK4CDKL1
SCHEMBL4281083 0.89 BRD4 (0.42) CDK2CDK4KCNH2PAK1JAK2
SCHEMBL13657918 0.89 BRD4 (0.42) CDK2CDK4KCNH2PAK1JAK2
SCHEMBL13662000 0.86 BRD4 (0.42) CDK2KCNH2PAK1JAK2JAK1
SCHEMBL4281637 0.86 JAK2 (0.44) PAK1JAK2JAK1TYK2JAK3
SCHEMBL4290885 0.86 JAK2 (0.44) PAK1JAK2JAK1TYK2JAK3
SCHEMBL14576293 0.85 BRD4 (0.40) CDK2PAK1JAK2JAK1TYK2
SCHEMBL15391059 0.85 BRD4 (0.40) CDK2PAK1JAK2JAK1TYK2
SCHEMBL4282165 0.85 PAK1 (0.43) CDK2KCNH2PAK1JAK2JAK1
SCHEMBL4286098 0.85 PAK1 (0.43) CDK2KCNH2PAK1JAK2JAK1

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 CDK2 1172/4885MYLK4 334/4885STK17A 3111/4885
US-20140213585-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 CDK2 13/4885MYLK4 1575/4885STK17A 247/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 CDK2 8/4885MYLK4 1855/4885STK17A 213/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 CDK2 6/4885MYLK4 1872/4885STK17A 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.