SCHEMBL4282467

SCHEMBL4282467

Cc1cc(Nc2nccc(-c3cnc4[nH]ccc4c3)n2)ccc1N1CC2CC1CN2CC1CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.38
BRDT Q58F21 1/20 0.38
JAK2 O60674 2/20 0.36
ACVR1 Q04771 1/20 0.35
CDK2 P24941 2/20 0.35
SYK P43405 2/20 0.35
BTK Q06187 3/20 0.35
MTOR P42345 2/20 0.35
RICTOR Q6R327 1/20 0.35
MAPKAP1 Q9BPZ7 1/20 0.35
MLST8 Q9BVC4 1/20 0.35
PTK2 Q05397 1/20 0.35
NUDT1 P36639 1/20 0.34
CHRNA7 P36544 3/20 0.34
KCNH2 Q12809 3/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
PIK3CD O00329 2/20 0.34
PIK3CA P42336 1/20 0.34
PIK3R1 P27986 1/20 0.34

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
SCHEMBL4278721 1.00 BRD4 (0.38) BRD4BRDTJAK2ACVR1CDK2
SCHEMBL4286143 0.89 MAP3K12 (0.40) BRD4BRDTJAK2ACVR1CDK2
SCHEMBL4287075 0.89 MAP3K12 (0.40) BRD4BRDTJAK2ACVR1CDK2
SCHEMBL4281600 0.88 CHRNA7 (0.45) BRD4BRDTJAK2CDK2SYK
SCHEMBL4277396 0.88 CHRNA7 (0.45) BRD4BRDTJAK2CDK2SYK
SCHEMBL4277427 0.81 STK17A (0.46) BRD4BRDTJAK2SYKMTOR
SCHEMBL4283925 0.81 STK17A (0.46) BRD4BRDTJAK2SYKMTOR
SCHEMBL4277136 0.81 ZAP70 (0.51) JAK2CDK2MTORJAK1TYK2
SCHEMBL4282362 0.81 ZAP70 (0.51) JAK2CDK2MTORJAK1TYK2
SCHEMBL4282491 0.80 CHRNA7 (0.44) JAK2CDK2MTORCHRNA7KCNH2

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 BRD4 251/4885BRDT 603/4885JAK2 1/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 BRD4 468/4885BRDT 1177/4885JAK2 1/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 BRD4 535/4885BRDT 1172/4885JAK2 1/4885

“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.