SCHEMBL4280924

SCHEMBL4280924

Cc1cc(Nc2nccc(-c3cnc4[nH]c5c(c4c3)CCCC5)n2)ccc1N1CC2CC1CN2C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 1/20 0.36
BRD4 O60885 5/20 0.35
CDK9 P50750 4/20 0.35
BRDT Q58F21 1/20 0.35
JAK1 P23458 6/20 0.35
JAK2 O60674 3/20 0.35
JAK3 P52333 2/20 0.35
CCNT1 O60563 1/20 0.35
ACVR1 Q04771 1/20 0.34
CCNA2 P20248 3/20 0.34
CDK2 P24941 3/20 0.34
CCNA1 P78396 3/20 0.34
PIM1 P11309 1/20 0.34
CDK4 P11802 1/20 0.34
CCND3 P30281 1/20 0.34
GSK3B P49841 1/20 0.34
SLC2A1 P11166 1/20 0.33
TYK2 P29597 2/20 0.33

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
SCHEMBL4279457 1.00 PAK1 (0.36) PAK1BRD4CDK9BRDTJAK1
SCHEMBL4288750 0.90 JAK2 (0.35) PAK1BRD4CDK9BRDTJAK2
SCHEMBL4281232 0.90 JAK2 (0.35) PAK1BRD4CDK9BRDTJAK2
SCHEMBL4281600 0.82 CHRNA7 (0.45) PAK1BRD4CDK9BRDTJAK2
SCHEMBL4277396 0.82 CHRNA7 (0.45) PAK1BRD4CDK9BRDTJAK2
SCHEMBL4281083 0.80 BRD4 (0.42) PAK1BRD4CDK9JAK1JAK2
SCHEMBL13657918 0.80 BRD4 (0.42) PAK1BRD4CDK9JAK1JAK2
SCHEMBL13662000 0.80 BRD4 (0.42) PAK1BRD4CDK9JAK1JAK2
SCHEMBL4282423 0.79 SYK (0.41) PAK1BRD4CDK9BRDTJAK2
SCHEMBL4277303 0.79 SYK (0.41) PAK1BRD4CDK9BRDTJAK2

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 PAK1 687/4885BRD4 251/4885CDK9 59/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 PAK1 461/4885BRD4 468/4885CDK9 15/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 PAK1 458/4885BRD4 535/4885CDK9 14/4885

“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.