SCHEMBL3505658

SCHEMBL3505658

Cn1nnnc1-c1cc(C2CC2)cc([N+](=O)[O-])c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.42
LMNA P02545 3/20 0.37
CHEK1 O14757 1/20 0.36
DAPK3 O43293 1/20 0.36
GRK5 P34947 1/20 0.36
LIMK1 P53667 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 1/20 0.35
HTT P42858 2/20 0.34
MAPT P10636 2/20 0.34
MITF O75030 1/20 0.34
PTGS2 P35354 1/20 0.34
CYP19A1 P11511 1/20 0.34
PIP4K2C Q8TBX8 1/20 0.33
NPC1 O15118 1/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 2/20 0.32

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
SCHEMBL1740624 0.81 TSHR (0.50) SMN1; SMN2LMNACHEK1DAPK3GRK5
SCHEMBL584214 0.79 SMN1; SMN2 (0.46) SMN1; SMN2LMNACHEK1DAPK3GRK5
SCHEMBL13225987 0.79 SMN1; SMN2 (0.46) SMN1; SMN2LMNACHEK1DAPK3GRK5
SCHEMBL1741156 0.77 SMN1; SMN2 (0.47) SMN1; SMN2WNT1GSK3BDYRK1A
SCHEMBL4606332 0.76 SMN1; SMN2 (0.51) SMN1; SMN2LMNAKDM4EPKMHTT
SCHEMBL13225981 0.75 SMN1; SMN2 (0.43) SMN1; SMN2LMNACHEK1DAPK3GRK5
SCHEMBL4606507 0.75 SMN1; SMN2 (0.43) SMN1; SMN2LMNACHEK1DAPK3GRK5
SCHEMBL4604452 0.75 SMN1; SMN2 (0.43) SMN1; SMN2LMNACHEK1DAPK3GRK5
SCHEMBL4605510 0.75 SMN1; SMN2 (0.43) SMN1; SMN2LMNACHEK1DAPK3GRK5
SCHEMBL4429016 0.74 KEAP1 (0.53) SMN1; SMN2LMNAPKMHTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-9149475-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2015-10-06 US 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-20130210810-A1 Protein Kinase C Inhibitors and Uses Thereof RIGEL PHARMACEUTICALS, INC. (US) 2013-08-15 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
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
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 SMN1; SMN2 1709/4885LMNA 892/4885CHEK1 328/4885
US-20130210810-A1 Protein Kinase C Inhibitors and Uses Thereof PRKCH, PRKCA, PRKCB SMN1; SMN2 1709/4885LMNA 892/4885CHEK1 328/4885

“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.