SCHEMBL1741652

SCHEMBL1741652

CC(C)N1CCC(Oc2ccc(Nc3ncc(F)c(NC4CC(C)(C)N(C)C(C)(C)C4)n3)cc2C(F)(F)F)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 1/20 0.47
ULK1 O75385 11/20 0.45
ULK2 Q8IYT8 2/20 0.45
BCL6 P41182 2/20 0.42
CHEK1 O14757 2/20 0.41
EGFR P00533 3/20 0.40
BRAF P15056 1/20 0.39
KDR P35968 1/20 0.39
ITK Q08881 1/20 0.39
KIT P10721 1/20 0.38
FLT3 P36888 1/20 0.38
BTK Q06187 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
SCHEMBL3507872 0.92 PRKCQ (0.49) PRKCQULK1ULK2BCL6EGFR
SCHEMBL1740718 0.91 ULK1 (0.45) ULK1ULK2BCL6CHEK1EGFR
SCHEMBL1740846 0.91 BCL6 (0.50) PRKCQBCL6EGFRITKBTK
SCHEMBL1741022 0.89 PRKCQ (0.47) PRKCQULK1ULK2BCL6EGFR
SCHEMBL3504933 0.87 CSNK2A2 (0.47) PRKCQBCL6CHEK1EGFRITK
SCHEMBL3506181 0.86 PRKCQ (0.45) PRKCQULK1ULK2BCL6EGFR
SCHEMBL1739948 0.86 BCL6 (0.46) PRKCQBCL6EGFRITKBTK
SCHEMBL3494060 0.85 PRKCQ (0.57) PRKCQULK1ULK2BCL6EGFR
SCHEMBL1740266 0.84 PRKCQ (0.46) PRKCQULK1ULK2BCL6EGFR
SCHEMBL1741033 0.84 PRKCQ (0.46) PRKCQULK1ULK2BCL6EGFR

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 10 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
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
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 5/4885ULK1 282/4885ULK2 313/4885
US-20130210810-A1 Protein Kinase C Inhibitors and Uses Thereof PRKCH, PRKCA, PRKCB PRKCQ 5/4885ULK1 282/4885ULK2 313/4885

“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.