SCHEMBL13657993

SCHEMBL13657993

CC(C)(C)c1cnn(-c2cccc(Cl)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.44
EPHX2 P34913 1/20 0.42
KDM5B Q9UGL1 1/20 0.41
FLT3 P36888 1/20 0.40
GSK3B P49841 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
PKM P14618 1/20 0.39
BTK Q06187 1/20 0.39
MAPK10 P53779 1/20 0.39
RXRA P19793 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
PLAU P00749 1/20 0.38
ELANE P08246 1/20 0.38
ACLY P53396 1/20 0.38
PARP1 P09874 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
PARP3 Q9Y6F1 1/20 0.38
PRKCZ Q05513 1/20 0.38
MGLL Q99685 1/20 0.38

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
SCHEMBL26054257 0.81 NPC1 (0.47) NOTUMEPHX2BTKRXRAGRIN1
SCHEMBL19625440 0.80 MAP4K4 (0.43) NOTUMPLAUELANENPC1RAB9A
SCHEMBL28342606 0.80 NOTUM (0.48) NOTUMEPHX2MKNK1MGLLNPC1
SCHEMBL9607548 0.80 GAA (0.53) EPHX2KDM5BACLYNPC1RAB9A
SCHEMBL20647056 0.80 HPGDS (0.48) NOTUMPKMBTKMAPK10PARP1
SCHEMBL9134471 0.79 NOTUM (0.47) NOTUMKDM5BFLT3GSK3BMKNK1
SCHEMBL21849159 0.78 EPHX2 (0.64) NOTUMEPHX2RXRAGRIN1GRIN2B
SCHEMBL2132953 0.76 NOTUM (0.47) NOTUMKDM5BFLT3GSK3BMKNK1
SCHEMBL30782532 0.76 NOTUM (0.47) NOTUMEPHX2KDM5BFLT3GSK3B
SCHEMBL17214787 0.76 NOTUM (0.47) NOTUMEPHX2KDM5BFLT3GSK3B

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
US-9624229-B2 Pyrimidine-2-amine compounds and their use as inhibitors of JAK kinases RIGEL PHARMACEUTICALS, INC. (US) 2017-04-18 US 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 NOTUM 4534/4885EPHX2 3048/4885KDM5B 800/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 NOTUM 4368/4885EPHX2 2252/4885KDM5B 899/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 NOTUM 4356/4885EPHX2 2114/4885KDM5B 920/4885

“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.