SCHEMBL4286818

SCHEMBL4286818

CCCNc1ncc(-c2ccnc(Nc3ccc(N4CC5CC4CN5C)c(C)c3)n2)cn1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 1/20 0.42
JAK1 P23458 10/20 0.40
JAK2 O60674 4/20 0.40
TYK2 P29597 4/20 0.40
EGFR P00533 2/20 0.39
JAK3 P52333 2/20 0.39
ACVR1 Q04771 1/20 0.38
BRD4 O60885 2/20 0.37
CDK9 P50750 2/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CCNA1 P78396 1/20 0.37
PIM1 P11309 1/20 0.36
CDK4 P11802 1/20 0.36
CCND3 P30281 1/20 0.36
GSK3B P49841 1/20 0.36

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
SCHEMBL4279622 1.00 PAK1 (0.42) PAK1JAK1JAK2TYK2EGFR
SCHEMBL4282357 0.91 EGFR (0.44) PAK1JAK1JAK2TYK2EGFR
SCHEMBL4281832 0.91 EGFR (0.44) PAK1JAK1JAK2TYK2EGFR
SCHEMBL4283682 0.91 PAK1 (0.43) PAK1JAK1JAK2TYK2EGFR
SCHEMBL4286149 0.91 PAK1 (0.43) PAK1JAK1JAK2TYK2EGFR
SCHEMBL13662000 0.85 BRD4 (0.42) PAK1JAK1JAK2TYK2EGFR
SCHEMBL4281083 0.84 BRD4 (0.42) PAK1JAK1JAK2TYK2EGFR
SCHEMBL13657918 0.84 BRD4 (0.42) PAK1JAK1JAK2TYK2EGFR
SCHEMBL4281635 0.84 PAK1 (0.42) PAK1JAK1JAK2TYK2EGFR
SCHEMBL4290612 0.84 PAK1 (0.42) PAK1JAK1JAK2TYK2EGFR

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017007658-A1 A COMBINATION FOR IMMUNE MEDIATED CANCER TREATMENT RIGEL PHARMACEUTICALS, INC. (US) 2017-01-12 WO claimed
US-9624229-B2 Pyrimidine-2-amine compounds and their use as inhibitors of JAK kinases RIGEL PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
WO-2017007658-A1 A COMBINATION FOR IMMUNE MEDIATED CANCER TREATMENT RIGEL PHARMACEUTICALS, INC. (US) 2017-01-12 WO 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
WO-2013173506-A2 METHOD OF TREATING MUSCULAR DEGRADATION RIGEL PHARMACEUTICALS, INC. (US) 2013-11-21 WO 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 687/4885JAK1 2/4885JAK2 1/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 PAK1 461/4885JAK1 2/4885JAK2 1/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 PAK1 458/4885JAK1 2/4885JAK2 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.