SCHEMBL17679294

SCHEMBL17679294

CC(O)c1cccnc1C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
KMT2A Q03164 1/20 0.34
HIF1A Q16665 2/20 0.34
CYP2C19 P33261 2/20 0.34
GABRA1 P14867 2/20 0.33
GABRB2 P47870 2/20 0.33
PDE2A O00408 1/20 0.33
P2RY1 P47900 1/20 0.32
SLC40A1 Q9NP59 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP1A2 P05177 2/20 0.31
GAA P10253 1/20 0.31
TRPA1 O75762 1/20 0.31
CYP3A4 P08684 2/20 0.30
TSHR P16473 2/20 0.30
FAAH O00519 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
LMNA P02545 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
SCHEMBL15927345 1.00 ALDH1A1 (0.34) ALDH1A1KDM4EKMT2AHIF1ACYP2C19
SCHEMBL20031318 0.85 GABRA1 (0.31) ALDH1A1HIF1ACYP2C19GABRA1GABRB2
SCHEMBL13209255 0.84 GABRA1 (0.40) ALDH1A1KDM4EKMT2AHIF1AGABRA1
SCHEMBL23489771 0.83 PDE2A (0.39) ALDH1A1GABRA1GABRB2PDE2AL3MBTL1
SCHEMBL31085176 0.83 PDE2A (0.39) ALDH1A1GABRA1GABRB2PDE2AL3MBTL1
SCHEMBL17679292 0.80 PDE2A (0.38) ALDH1A1KDM4EKMT2AHIF1ACYP2C19
SCHEMBL17679293 0.80 PDE2A (0.38) ALDH1A1KDM4EKMT2AHIF1ACYP2C19
SCHEMBL17679296 0.79 KDM4E (0.31) ALDH1A1KDM4EKMT2A
SCHEMBL7464555 0.79 HIF1A (0.34) ALDH1A1KDM4EKMT2AHIF1ACYP2C19
SCHEMBL17679295 0.79 KDM4E (0.31) ALDH1A1KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230027257-A1 TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE KANION USA INC. 2023-01-26 US disclosed
US-11248013-B2 Tricyclic inhibitors of poly(ADP-ribose)polymerase RAKOVINA THERAPEUTICS INC. (CA) 2022-02-15 US disclosed
US-20200299315-A1 TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE RAKOVINA THERAPEUTICS INC. (CA) 2020-09-24 US disclosed
US-10774064-B2 Potassium channel modulators CADENT THERAPEUTICS, INC. (US) 2020-09-15 US disclosed
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS NOVARTIS AG (CH) 2019-07-18 US disclosed
US-20180094010-A1 TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE NEWGEN THERAPEUTICS INC (US) 2018-04-05 US disclosed
US-20180094010-A1 TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE NEWGEN THERAPEUTICS INC (US) 2018-04-05 US disclosed
US-20170057984-A1 TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE NEWGEN THERAPEUTICS INC (US) 2017-03-02 US disclosed
US-20170057984-A1 TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE NEWGEN THERAPEUTICS INC (US) 2017-03-02 US disclosed
US-20160102073-A1 2-HYDROXYMETHYL-SUBSTITUTED OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-04-14 US disclosed
US-20140221314-A1 TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE NEWGEN THERAPEUTICS, INC. (US) 2014-08-07 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 (9 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-20140221314-A1 TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE PARP1, PARP2, PARP11 ALDH1A1 1069/4885KDM4E 2241/4885KMT2A 813/4885
US-20230027257-A1 TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE PARP1, PARP2, PARP11 ALDH1A1 1069/4885KDM4E 2241/4885KMT2A 813/4885
US-10774064-B2 Potassium channel modulators KCNJ11, KCNJ2, KCNJ1 ALDH1A1 1320/4885KDM4E 1648/4885KMT2A 1471/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 ALDH1A1 1320/4885KDM4E 1648/4885KMT2A 1471/4885
US-20170057984-A1 TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE PARP1, PARP2, PARP11 ALDH1A1 1069/4885KDM4E 2241/4885KMT2A 813/4885
US-20180094010-A1 TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE PARP1, PARP2, PARP11 ALDH1A1 1069/4885KDM4E 2241/4885KMT2A 813/4885
US-11248013-B2 Tricyclic inhibitors of poly(ADP-ribose)polymerase PARP1, PARP2, PARP11 ALDH1A1 1069/4885KDM4E 2241/4885KMT2A 813/4885
US-20200299315-A1 TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE PARP1, PARP2, PARP11 ALDH1A1 1282/4885KDM4E 2303/4885KMT2A 784/4885
US-20160102073-A1 2-HYDROXYMETHYL-SUBSTITUTED OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, CRHR2 ALDH1A1 1438/4885KDM4E 498/4885KMT2A 368/4885

“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.