SCHEMBL1741114

SCHEMBL1741114

CC1(C)CC(Nc2nc(Nc3ccc(OC(C)(C)CCN4CCCC4)c(F)c3)ncc2F)CC(C)(C)N1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BTK Q06187 4/20 0.46
TNK2 Q07912 3/20 0.46
LCK P06239 1/20 0.46
EGFR P00533 9/20 0.44
PRKCQ Q04759 1/20 0.40
BCL6 P41182 2/20 0.39
ITK Q08881 4/20 0.37
SYK P43405 1/20 0.37
FLT3 P36888 2/20 0.37
CHEK1 O14757 1/20 0.37
ULK1 O75385 1/20 0.37
ULK2 Q8IYT8 1/20 0.37
INSR P06213 1/20 0.37
ALK Q9UM73 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
SCHEMBL3507080 0.92 PRKCQ (0.48) BTKTNK2LCKEGFRPRKCQ
SCHEMBL1742231 0.90 PRKCQ (0.42) BTKTNK2LCKEGFRPRKCQ
SCHEMBL1740934 0.84 EGFR (0.40) BTKTNK2LCKEGFRPRKCQ
SCHEMBL3507927 0.81 PRKCQ (0.52) BTKTNK2LCKEGFRPRKCQ
SCHEMBL1741122 0.81 EGFR (0.44) BTKTNK2LCKEGFRPRKCQ
SCHEMBL1739964 0.81 EGFR (0.44) BTKTNK2LCKEGFRPRKCQ
SCHEMBL1742592 0.80 EGFR (0.48) BTKEGFRPRKCQBCL6ITK
SCHEMBL1740382 0.78 BTK (0.39) BTKEGFRPRKCQITKSYK
SCHEMBL1740381 0.77 EGFR (0.48) BTKEGFRITKSYKFLT3
SCHEMBL1741140 0.76 EGFR (0.49) BTKEGFRBCL6ITK

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
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
US-20100204208-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF MIDCAP FINANCIAL TRUST 2010-08-12 US 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 BTK 248/4885TNK2 39/4885LCK 171/4885
US-20130210810-A1 Protein Kinase C Inhibitors and Uses Thereof PRKCH, PRKCA, PRKCB BTK 248/4885TNK2 39/4885LCK 171/4885

“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.