SCHEMBL6685396

SCHEMBL6685396

CCOC(=O)c1c(N)[nH]c2cccnc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
LMNA P02545 3/20 0.44
TP53 P04637 3/20 0.44
CHEK1 O14757 1/20 0.44
MDM2 Q00987 1/20 0.44
KDM4E B2RXH2 6/20 0.43
HSD17B10 Q99714 2/20 0.43
CASP1 P29466 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
ALDH1A1 P00352 5/20 0.42
GAA P10253 3/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
POLB P06746 1/20 0.42
PARP1 P09874 1/20 0.42

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
SCHEMBL13447135 0.85 CA12 (0.47) MAPTLMNAKDM4EHSD17B10CASP1
SCHEMBL13447134 0.84 ALOX5 (0.46) MAPTLMNAKDM4EHSD17B10CA12
SCHEMBL5260351 0.83 KDM5A (0.49) MAPTLMNATP53CHEK1KDM4E
SCHEMBL6488838 0.82 KDM4E (0.59) MAPTLMNATP53KDM4EHSD17B10
SCHEMBL13447133 0.81 KDM4E (0.56) MAPTTP53CHEK1KDM4EHSD17B10
SCHEMBL24500307 0.79 KDM5A (0.59) LMNAKDM4EHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL29694785 0.79 KDM5A (0.59) LMNAKDM4EHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL14195215 0.78 CSF1R (0.50) MAPTLMNAKDM4EHSD17B10ALDH1A1
SCHEMBL7215720 0.77 ALOX5 (0.56) MAPTLMNAKDM4EHSD17B10ALDH1A1
SCHEMBL31017629 0.76 HPGD (0.42) MAPTLMNATP53MDM2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040192697-A1 Pyrrolopyridine potassium channel openers ABBOTT LABORATORIES 2004-09-30 US claimed
WO-2004060893-A1 PYRROLOPYRIDINE POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2004-07-22 WO claimed
US-20040122218-A1 Pyrrolopyridine potassium channel openers ABBOTT LABORATORIES 2004-06-24 US claimed
US-9580409-B2 Modulators of opioid receptors and methods of use thereof SUNOVION PHARMACEUTICALS, INC. (US) 2017-02-28 US disclosed
US-20140288050-A1 MODULATORS OF OPIOID RECEPTORS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS, INC. 2014-09-25 US disclosed
US-20040192697-A1 Pyrrolopyridine potassium channel openers ABBOTT LABORATORIES 2004-09-30 US disclosed
WO-2004060893-A1 PYRROLOPYRIDINE POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2004-07-22 WO disclosed
US-20040122218-A1 Pyrrolopyridine potassium channel openers ABBOTT LABORATORIES 2004-06-24 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 (3 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-20040122218-A1 Pyrrolopyridine potassium channel openers KCNJ2, KCNN1, KCNN2 MAPT 1529/4885LMNA 2531/4885TP53 3740/4885
US-20040192697-A1 Pyrrolopyridine potassium channel openers KCNJ2, KCNN1, KCNN2 MAPT 1529/4885LMNA 2531/4885TP53 3740/4885
US-20140288050-A1 MODULATORS OF OPIOID RECEPTORS AND METHODS OF USE THEREOF OPRM1, OPRK1, OPRL1 MAPT 727/4885LMNA 3084/4885TP53 4883/4885

“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.