SCHEMBL4277458

SCHEMBL4277458

Cc1cc(Nc2nccc(-c3ccc4c(c3)SCC(=O)N4)n2)ccc1N1CC2CC1CN2C

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 1/20 0.43
BRD4 O60885 14/20 0.41
CDK9 P50750 11/20 0.41
KIF11 P52732 1/20 0.38
EGFR P00533 1/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 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
SCHEMBL4286457 1.00 TBK1 (0.43) TBK1BRD4CDK9KIF11EGFR
SCHEMBL4286327 0.90 TBK1 (0.41) TBK1BRD4CDK9KIF11CYP11B1
SCHEMBL4285574 0.90 TBK1 (0.41) TBK1BRD4CDK9KIF11CYP11B1
SCHEMBL4280664 0.90 TBK1 (0.53) TBK1BRD4CDK9KIF11
SCHEMBL4277199 0.90 TBK1 (0.53) TBK1BRD4CDK9KIF11
SCHEMBL4279644 0.88 TBK1 (0.55) TBK1BRD4CDK9EGFR
SCHEMBL4285417 0.88 TBK1 (0.55) TBK1BRD4CDK9EGFR
SCHEMBL4280519 0.85 TBK1 (0.48) TBK1BRD4CDK9KIF11EGFR
SCHEMBL4277302 0.85 TBK1 (0.48) TBK1BRD4CDK9KIF11EGFR
SCHEMBL4282180 0.82 BRD4 (0.40) TBK1BRD4CDK9

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 TBK1 104/4885BRD4 251/4885CDK9 59/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 TBK1 211/4885BRD4 468/4885CDK9 15/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 TBK1 225/4885BRD4 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.