SCHEMBL1945693

SCHEMBL1945693

Cn1nnn(-c2cc(C3CC3)cc([N+](=O)[O-])c2)c1=O

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.34
CHEK1 O14757 1/20 0.33
DAPK3 O43293 1/20 0.33
GRK5 P34947 1/20 0.33
LIMK1 P53667 1/20 0.33
GSK3B P49841 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
ALDH1A1 P00352 3/20 0.32
SLC18A3 Q16572 1/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.30

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
SCHEMBL1946971 0.81 CHEK1 (0.36) SMN1; SMN2CHEK1DAPK3GRK5LIMK1
SCHEMBL1946380 0.80 BACE1 (0.30)
SCHEMBL1945990 0.80 LMNA (0.38) SMN1; SMN2CHEK1DAPK3GRK5LIMK1
SCHEMBL1944859 0.79 CHEK1 (0.36) SMN1; SMN2CHEK1DAPK3GRK5LIMK1
SCHEMBL1944271 0.77 SIRT2 (0.33) SMN1; SMN2MEN1KMT2AALDH1A1SLC18A3
SCHEMBL1944185 0.76 ABHD16A (0.41) SMN1; SMN2MEN1KMT2AMAPTKDM4E
SCHEMBL1944263 0.75 VCAM1 (0.51) SMN1; SMN2CHEK1DAPK3GRK5LIMK1
SCHEMBL1944139 0.75 KEAP1 (0.39) SMN1; SMN2CHEK1DAPK3GRK5LIMK1
SCHEMBL18504883 0.74 NOTUM (0.45)
SCHEMBL1944810 0.74 SMN1; SMN2 (0.55) SMN1; SMN2MEN1KMT2AIDO1TDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9732070-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2017-08-15 US disclosed
US-9732070-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2017-08-15 US disclosed
US-9732070-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2017-08-15 US disclosed
US-20170152246-A1 Protein Kinase C Inhibitors and Uses Thereof MIDCAP FINANCIAL TRUST 2017-06-01 US disclosed
US-20170152246-A1 Protein Kinase C Inhibitors and Uses Thereof MIDCAP FINANCIAL TRUST 2017-06-01 US disclosed
US-20170152246-A1 Protein Kinase C Inhibitors and Uses Thereof MIDCAP FINANCIAL TRUST 2017-06-01 US disclosed
EP-2507227-B1 TETRAZOLONES AS PROTEIN KINASE C INHIBITORS AND USES THEREOF RIGEL PHARMACEUTICALS INC (US) 2014-10-08 EP disclosed
EP-2507227-B1 TETRAZOLONES AS PROTEIN KINASE C INHIBITORS AND USES THEREOF RIGEL PHARMACEUTICALS INC (US) 2014-10-08 EP disclosed
EP-2507227-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF Rigel Pharmaceuticals, Inc. (US) 2012-10-10 EP disclosed
WO-2011068898-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF RIGEL PHARMACEUTICALS, INC. (US) 2011-06-09 WO disclosed
WO-2011068898-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF RIGEL PHARMACEUTICALS, INC. (US) 2011-06-09 WO disclosed
US-20110130415-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF RIGEL PHARMACEUTICALS, INC. 2011-06-02 US disclosed
US-20110130415-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF RIGEL PHARMACEUTICALS, INC. 2011-06-02 US disclosed
US-20110130415-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF RIGEL PHARMACEUTICALS, INC. 2011-06-02 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-20110130415-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF PRKCH, PRKCA, PRKCB SMN1; SMN2 1709/4885CHEK1 328/4885DAPK3 200/4885
US-20170152246-A1 Protein Kinase C Inhibitors and Uses Thereof PRKCH, PRKCA, PRKCB SMN1; SMN2 1709/4885CHEK1 328/4885DAPK3 200/4885

“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.