SCHEMBL1942929

SCHEMBL1942929

Cn1nnn(-c2cc([N+](=O)[O-])c(F)cc2Cl)c1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.35
ESPL1 Q14674 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
ATM Q13315 1/20 0.33
ALDH1A1 P00352 7/20 0.33
LMNA P02545 3/20 0.33
MAPT P10636 6/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
HIF1A Q16665 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HSP90AA1 P07900 1/20 0.32
HPGD P15428 1/20 0.32
CCR6 P51684 1/20 0.32
NLRP1 Q9C000 1/20 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
SCHEMBL15322582 0.84 ESPL1 (0.34) PKMESPL1TDP1ATMALDH1A1
SCHEMBL1944352 0.84 MAPT (0.40) PKMESPL1TDP1ATMALDH1A1
SCHEMBL1943820 0.82 TDP1 (0.38) PKMTDP1ALDH1A1LMNAMAPT
SCHEMBL1945616 0.80 ALDH1A1 (0.37) ESPL1TDP1ATMALDH1A1LMNA
SCHEMBL1944459 0.78 BRD4 (0.33)
SCHEMBL19256724 0.76 ALDH1A1 (0.32) ALDH1A1MAPTSMN1; SMN2CYP1A2CYP2D6
SCHEMBL1936956 0.76 ALDH1A1 (0.32) ALDH1A1MAPTSMN1; SMN2CYP1A2CYP2D6
SCHEMBL9886504 0.76 ALDH1A1 (0.32) ALDH1A1MAPTSMN1; SMN2CYP1A2CYP2D6
SCHEMBL1945643 0.76 HTT (0.47) ALDH1A1LMNASMN1; SMN2HTT
SCHEMBL30930904 0.76 LMNA (0.47) ALDH1A1LMNAMAPTSMN1; SMN2HTT

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 PKM 210/4885ESPL1 1802/4885TDP1 754/4885
US-20170152246-A1 Protein Kinase C Inhibitors and Uses Thereof PRKCH, PRKCA, PRKCB PKM 210/4885ESPL1 1802/4885TDP1 754/4885

“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.