SCHEMBL4282471

SCHEMBL4282471

Cc1cc(Nc2nccc(-c3ccc(Cc4ccccc4)nc3)n2)ccc1N1C[C@@H]2C[C@H]1CN2C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.42
JAK1 P23458 4/20 0.42
JAK2 O60674 4/20 0.42
JAK3 P52333 3/20 0.40
CDK9 P50750 3/20 0.40
CDK4 P11802 2/20 0.40
PIM1 P11309 1/20 0.40
CCND3 P30281 1/20 0.40
GSK3B P49841 1/20 0.40
CHRNA7 P36544 2/20 0.39
KCNH2 Q12809 2/20 0.39
CDK2 P24941 3/20 0.39
CCNA2 P20248 2/20 0.39
CCNA1 P78396 2/20 0.39
PAK1 Q13153 1/20 0.39
ACVR1 Q04771 1/20 0.38
PRKCA P17252 1/20 0.38

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
SCHEMBL4284505 1.00 BRD4 (0.42) BRD4JAK1JAK2JAK3CDK9
SCHEMBL4282315 0.91 BRD4 (0.42) BRD4JAK1JAK2JAK3CDK9
SCHEMBL4285314 0.91 BRD4 (0.42) BRD4JAK1JAK2JAK3CDK9
SCHEMBL4284640 0.88 CCNA2 (0.48) BRD4JAK1JAK2JAK3CDK9
SCHEMBL4281083 0.85 BRD4 (0.42) BRD4JAK1JAK2JAK3CDK9
SCHEMBL13657918 0.85 BRD4 (0.42) BRD4JAK1JAK2JAK3CDK9
SCHEMBL4282165 0.84 PAK1 (0.43) BRD4JAK1JAK2JAK3CDK9
SCHEMBL4286098 0.84 PAK1 (0.43) BRD4JAK1JAK2JAK3CDK9
SCHEMBL13662000 0.84 BRD4 (0.42) BRD4JAK1JAK2CDK9CHRNA7
SCHEMBL4290612 0.83 PAK1 (0.42) BRD4JAK1JAK2CDK9CDK2

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