SCHEMBL1739964

SCHEMBL1739964

CC1(C)CC(Nc2nc(Nc3ccc(OCCN4CCCC4)c(OC(F)F)c3)ncc2F)CC(C)(C)N1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.44
ITK Q08881 2/20 0.41
TNK2 Q07912 3/20 0.41
BTK Q06187 3/20 0.41
LCK P06239 1/20 0.41
SYK P43405 2/20 0.40
ALK Q9UM73 3/20 0.40
INSR P06213 1/20 0.39
PRKCQ Q04759 1/20 0.39
JAK3 P52333 2/20 0.39
BCL6 P41182 1/20 0.39
AXL P30530 2/20 0.39
MAP3K7 O43318 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 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
SCHEMBL1741364 0.93 EGFR (0.47) EGFRITKBTKSYKALK
SCHEMBL1741171 0.92 PRKCQ (0.48) EGFRITKTNK2BTKLCK
SCHEMBL1740825 0.90 EGFR (0.40) EGFRITKBTKSYKALK
SCHEMBL1741126 0.90 EGFR (0.47) EGFRITKBTKSYKALK
SCHEMBL1739925 0.90 BTK (0.51) EGFRITKTNK2BTKLCK
SCHEMBL1740727 0.88 EGFR (0.42) EGFRITKBTKSYKALK
SCHEMBL1740934 0.87 EGFR (0.40) EGFRITKTNK2BTKLCK
SCHEMBL1740390 0.87 SYK (0.43) EGFRSYKALKPRKCQBCL6
SCHEMBL1740992 0.87 EGFR (0.40) EGFRITKBTKSYKALK
SCHEMBL1740917 0.87 EGFR (0.39) EGFRBTKSYKALKPRKCQ

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
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
US-20100204208-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF MIDCAP FINANCIAL TRUST 2010-08-12 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 (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 EGFR 2299/4885ITK 884/4885TNK2 39/4885
US-20130210810-A1 Protein Kinase C Inhibitors and Uses Thereof PRKCH, PRKCA, PRKCB EGFR 2299/4885ITK 884/4885TNK2 39/4885

“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.