SCHEMBL4278732

SCHEMBL4278732

Cc1cc(Nc2nccc(-c3ccc(NS(C)(=O)=O)cc3)n2)ccc1N1C[C@@H]2C[C@H]1CN2C

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 15/20 0.51
JAK3 P52333 9/20 0.51
MAPK8 P45983 2/20 0.51
MAPK10 P53779 2/20 0.51
IKBKB O14920 1/20 0.49
CHUK O15111 1/20 0.49
HDAC1 Q13547 4/20 0.47
BRD4 O60885 1/20 0.43
CDK9 P50750 1/20 0.43
EGFR P00533 1/20 0.43

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
SCHEMBL4284327 1.00 JAK2 (0.51) JAK2JAK3MAPK8MAPK10IKBKB
SCHEMBL4289496 0.92 JAK2 (0.43) JAK2JAK3MAPK8MAPK10IKBKB
SCHEMBL4277090 0.92 JAK2 (0.43) JAK2JAK3MAPK8MAPK10IKBKB
SCHEMBL4290902 0.90 JAK2 (0.51) JAK2JAK3MAPK8MAPK10IKBKB
SCHEMBL4277941 0.90 JAK2 (0.51) JAK2JAK3MAPK8MAPK10IKBKB
SCHEMBL4279946 0.86 CDK2 (0.43) BRD4CDK9EGFR
SCHEMBL4279978 0.86 CAMK2D (0.44) JAK2IKBKBBRD4CDK9EGFR
SCHEMBL4281083 0.86 BRD4 (0.42) JAK2JAK3BRD4CDK9EGFR
SCHEMBL4277838 0.86 CAMK2D (0.44) JAK2IKBKBBRD4CDK9EGFR
SCHEMBL4280000 0.86 CDK2 (0.43) BRD4CDK9EGFR

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 JAK2 4729/4885JAK3 4792/4885MAPK8 3634/4885
US-20140213585-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 JAK2 1/4885JAK3 3/4885MAPK8 372/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 JAK2 1/4885JAK3 3/4885MAPK8 426/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 JAK2 1/4885JAK3 3/4885MAPK8 420/4885

“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.