SCHEMBL4287660

SCHEMBL4287660

CCC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(Nc2nccc(-c3ccc(N)nc3)n2)cc1C

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 6/20 0.46
JAK1 P23458 5/20 0.44
JAK2 O60674 4/20 0.44
CAMK2D Q13557 1/20 0.39
PIN1 Q13526 1/20 0.39
EGFR P00533 8/20 0.38
CSF1R P07333 6/20 0.38
ACVR1 Q04771 1/20 0.38
BTK Q06187 2/20 0.37
BRD4 O60885 1/20 0.37
CDK9 P50750 1/20 0.37

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
SCHEMBL4284440 1.00 TYK2 (0.46) TYK2JAK1JAK2CAMK2DPIN1
SCHEMBL4282107 0.89 TYK2 (0.46) TYK2JAK1JAK2BTK
SCHEMBL4285773 0.89 TYK2 (0.46) TYK2JAK1JAK2BTK
SCHEMBL4277261 0.86 ZAP70 (0.50) TYK2JAK1JAK2CAMK2DEGFR
SCHEMBL4282476 0.86 ZAP70 (0.50) TYK2JAK1JAK2CAMK2DEGFR
SCHEMBL4284103 0.83 BRD4 (0.39) JAK2CAMK2DEGFRBRD4CDK9
SCHEMBL4284329 0.83 BRD4 (0.39) JAK2CAMK2DEGFRBRD4CDK9
SCHEMBL4286844 0.83 MKNK1 (0.41) TYK2JAK2
SCHEMBL4285277 0.83 MKNK1 (0.41) TYK2JAK2
SCHEMBL4279790 0.82 TYK2 (0.40) TYK2JAK1JAK2PIN1EGFR

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 8 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-20130310340-A1 METHOD OF TREATING MUSCULAR DEGRADATION RIGEL PHARMACEUTICALS, INC. (US) 2013-11-21 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 (4 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-20130310340-A1 METHOD OF TREATING MUSCULAR DEGRADATION PYGM, CKMT1A; CKMT1B, SMN1; SMN2 TYK2 4841/4885JAK1 4796/4885JAK2 4729/4885
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.