SCHEMBL1740898

SCHEMBL1740898

CC(C)Nc1cc(Nc2ncc(F)c(NC3CC(C)(C)N(C)C(C)(C)C3)n2)ccc1OC(C)C

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 2/20 0.51
SYK P43405 3/20 0.44
BCL6 P41182 3/20 0.43
EGFR P00533 7/20 0.41
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
PLK1 P53350 1/20 0.40
CCNA1 P78396 1/20 0.40
ITK Q08881 4/20 0.39
ULK1 O75385 1/20 0.38
ULK2 Q8IYT8 1/20 0.38
BTK Q06187 2/20 0.38
BRD4 O60885 1/20 0.37
CSNK2A2 P19784 1/20 0.37
CSNK2A1 P68400 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
SCHEMBL1740274 0.89 SYK (0.45) PRKCQSYKBCL6EGFRAURKA
SCHEMBL3494008 0.88 PRKCQ (0.57) PRKCQSYKBCL6EGFRAURKA
SCHEMBL3496041 0.88 PRKCQ (0.53) PRKCQSYKBCL6EGFRITK
SCHEMBL1742552 0.86 PRKCQ (0.53) PRKCQSYKBCL6EGFRAURKA
SCHEMBL1740715 0.85 PRKCQ (0.50) PRKCQSYKBCL6EGFRAURKA
SCHEMBL3496207 0.83 PRKCQ (0.55) PRKCQSYKBCL6EGFRAURKA
SCHEMBL1740790 0.82 PRKCQ (0.57) PRKCQSYKBCL6EGFRCCNA2
SCHEMBL3495061 0.82 PRKCQ (0.61) PRKCQSYKBCL6EGFRAURKA
SCHEMBL3494648 0.82 PRKCQ (0.61) PRKCQSYKBCL6EGFRAURKA
SCHEMBL1944247 0.82 PRKCQ (0.51) PRKCQSYKBCL6EGFRAURKA

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130210810-A1 Protein Kinase C Inhibitors and Uses Thereof RIGEL PHARMACEUTICALS, INC. (US) 2013-08-15 US claimed
EP-2389373-A1 DERIVATIVES OF N2-(3-PYRIDIL OR PHENYL)-N4-(4-PIPERIDYL)-2,4-PYRIMIDINEDIAMINE USEFUL IN THE TREATMENT OF INFLAMMATORY, AUTOIMMUNE OR PROLIFERATIVE DISEASES Rigel Pharmaceuticals, Inc. (US) 2011-11-30 EP claimed
US-20110253835-A1 AIRCRAFT INTERIOR LAVATORY BE INTELLECTUAL PROPERTY, INC. (US) 2011-10-20 US claimed
US-20100204208-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF MIDCAP FINANCIAL TRUST 2010-08-12 US claimed
WO-2010090875-A1 DERIVATIVES OF N2-(3-PYRIDIL OR PHENYL)-N4-(4-PIPERIDYL)-2,4-PYRIMIDINEDIAMINE USEFUL IN THE TREATMENT OF INFLAMMATORY, AUTOIMMUNE OR PROLIFERATIVE DISEASES RIGEL PHARMACEUTICALS, INC. (US) 2010-08-12 WO claimed
EP-2389373-B1 DERIVATIVES OF N2-(3-PYRIDYL OR PHENYL)-N4-(4-PIPERIDYL)-2,4-PYRIMIDINEDIAMINE USEFUL IN THE TREATMENT OF INFLAMMATORY, AUTOIMMUNE OR PROLIFERATIVE DISEASES RIGEL PHARMACEUTICALS INC (US) 2017-05-17 EP disclosed
US-9149475-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2015-10-06 US disclosed
US-20130210810-A1 Protein Kinase C Inhibitors and Uses Thereof RIGEL PHARMACEUTICALS, INC. (US) 2013-08-15 US disclosed
US-8377924-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS INC. (US) 2013-02-19 US disclosed
EP-2389373-A1 DERIVATIVES OF N2-(3-PYRIDIL OR PHENYL)-N4-(4-PIPERIDYL)-2,4-PYRIMIDINEDIAMINE USEFUL IN THE TREATMENT OF INFLAMMATORY, AUTOIMMUNE OR PROLIFERATIVE DISEASES Rigel Pharmaceuticals, Inc. (US) 2011-11-30 EP disclosed
US-20110253835-A1 AIRCRAFT INTERIOR LAVATORY BE INTELLECTUAL PROPERTY, INC. (US) 2011-10-20 US disclosed
US-20100204208-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF MIDCAP FINANCIAL TRUST 2010-08-12 US disclosed
WO-2010090875-A1 DERIVATIVES OF N2-(3-PYRIDIL OR PHENYL)-N4-(4-PIPERIDYL)-2,4-PYRIMIDINEDIAMINE USEFUL IN THE TREATMENT OF INFLAMMATORY, AUTOIMMUNE OR PROLIFERATIVE DISEASES RIGEL PHARMACEUTICALS, INC. (US) 2010-08-12 WO 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 (2 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-20100204208-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF PRKCH, PRKCA, PRKCB PRKCQ 5/4885SYK 600/4885BCL6 1014/4885
US-20130210810-A1 Protein Kinase C Inhibitors and Uses Thereof PRKCH, PRKCA, PRKCB PRKCQ 5/4885SYK 600/4885BCL6 1014/4885

“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.