SCHEMBL1944276

SCHEMBL1944276

Cc1c(-n2nnn(C)c2=O)cc([N+](=O)[O-])cc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
CHEK1 O14757 1/20 0.35
DAPK3 O43293 1/20 0.35
GRK5 P34947 1/20 0.35
LIMK1 P53667 1/20 0.35
GAA P10253 1/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 2/20 0.33
GALR3 O60755 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SOS1 Q07889 1/20 0.33
TSHR P16473 2/20 0.32
PGR P06401 2/20 0.31
AR P10275 2/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL1945574 0.86 ALDH1A1 (0.38) ALDH1A1CYP1A2CYP2C9CYP2C19CHEK1
SCHEMBL1944114 0.83 CHEK1 (0.39) ALDH1A1CYP1A2CYP2C9CYP2C19CHEK1
SCHEMBL1943199 0.82 ALDH1A1 (0.34) ALDH1A1CYP1A2CYP2C9CYP2C19TP53
SCHEMBL1942339 0.81 ALDH1A1 (0.40) ALDH1A1CHEK1DAPK3GRK5LIMK1
SCHEMBL1944963 0.80 LMNA (0.32) GAATSHRLMNA
SCHEMBL1944125 0.79 ALDH1A1 (0.38) ALDH1A1CYP1A2CYP2C9CYP2C19GAA
SCHEMBL1946351 0.75 ALDH1A1 (0.47) ALDH1A1CYP1A2MEN1KMT2ASMN1; SMN2
SCHEMBL1944743 0.75 ALDH1A1 (0.42) ALDH1A1CHEK1DAPK3GRK5LIMK1
SCHEMBL1944139 0.74 KEAP1 (0.39) ALDH1A1CHEK1DAPK3GRK5LIMK1
SCHEMBL1946695 0.74 ALDH1A1 (0.35) ALDH1A1CHEK1DAPK3GRK5LIMK1

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 ALDH1A1 4361/4885CYP1A2 4423/4885CYP2C9 4632/4885
US-20170152246-A1 Protein Kinase C Inhibitors and Uses Thereof PRKCH, PRKCA, PRKCB ALDH1A1 4361/4885CYP1A2 4423/4885CYP2C9 4632/4885

“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.