SCHEMBL4287096

SCHEMBL4287096

CCC(=O)N1CC2CC1CN2c1ccc(Nc2nccc(-c3cnc4c(c3)OC(C)(C)C(=O)N4)n2)cc1C

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 6/20 0.40
JAK1 P23458 5/20 0.38
JAK2 O60674 4/20 0.38
PIN1 Q13526 1/20 0.36
ACVR1 Q04771 1/20 0.35
EGFR P00533 11/20 0.34
CSF1R P07333 7/20 0.34
PAK1 Q13153 1/20 0.34

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
SCHEMBL4279790 1.00 TYK2 (0.40) TYK2JAK1JAK2PIN1ACVR1
SCHEMBL4285217 0.93 MAP3K12 (0.36) TYK2JAK1JAK2PIN1
SCHEMBL4285396 0.93 MAP3K12 (0.36) TYK2JAK1JAK2PIN1
SCHEMBL4278710 0.90 JAK2 (0.36) TYK2JAK1JAK2ACVR1EGFR
SCHEMBL4290295 0.90 JAK2 (0.36) TYK2JAK1JAK2ACVR1EGFR
SCHEMBL4291726 0.90 PAK1 (0.39) TYK2JAK1JAK2PAK1
SCHEMBL4284581 0.90 PAK1 (0.39) TYK2JAK1JAK2PAK1
SCHEMBL4284314 0.90 PAK1 (0.39) TYK2JAK1JAK2PAK1
SCHEMBL4278664 0.88 BRD4 (0.36) TYK2JAK1JAK2
SCHEMBL4280578 0.88 BRD4 (0.36) TYK2JAK1JAK2

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