SCHEMBL4289516

SCHEMBL4289516

CCN1CC2CC1CN2c1ccc(Nc2nccc(-c3cnc4c(c3)OC3(CCC3)C(=O)N4)n2)cc1C

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.35
JAK1 P23458 2/20 0.35
TYK2 P29597 2/20 0.35
JAK3 P52333 1/20 0.35
ACVR1 Q04771 1/20 0.35
BRD4 O60885 11/20 0.35
CDK9 P50750 10/20 0.35
PAK1 Q13153 1/20 0.34
MAP3K12 Q12852 1/20 0.33
EGFR P00533 1/20 0.32

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
SCHEMBL4281582 1.00 JAK2 (0.35) JAK2JAK1TYK2JAK3ACVR1
SCHEMBL4284768 0.92 PAK1 (0.38) JAK2JAK1TYK2JAK3BRD4
SCHEMBL4291602 0.92 PAK1 (0.38) JAK2JAK1TYK2JAK3BRD4
SCHEMBL4278710 0.91 JAK2 (0.36) JAK2JAK1TYK2JAK3ACVR1
SCHEMBL4290295 0.91 JAK2 (0.36) JAK2JAK1TYK2JAK3ACVR1
SCHEMBL15900137 0.85 ACVR1 (0.35) JAK2JAK1TYK2JAK3ACVR1
SCHEMBL4284581 0.83 PAK1 (0.39) JAK2JAK1TYK2JAK3BRD4
SCHEMBL4291726 0.83 PAK1 (0.39) JAK2JAK1TYK2JAK3BRD4
SCHEMBL4284314 0.83 PAK1 (0.39) JAK2JAK1TYK2JAK3BRD4
SCHEMBL4279790 0.81 TYK2 (0.40) JAK2JAK1TYK2ACVR1PAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (2 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-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 JAK2 1/4885JAK1 2/4885TYK2 4/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 JAK2 1/4885JAK1 2/4885TYK2 4/4885

“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.