SCHEMBL17159727

SCHEMBL17159727

O=C(O)c1nccc2[nH]ncc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METTL3 Q86U44 1/20 0.45
KDM4E B2RXH2 2/20 0.41
ASPH Q12797 1/20 0.41
KDM8 Q8N371 1/20 0.41
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CCNA1 P78396 1/20 0.40
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CYP3A4 P08684 2/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
BLM P54132 1/20 0.39
AGER Q15109 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
METAP2 P50579 1/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
NOS1 P29475 4/20 0.38

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
SCHEMBL31178673 1.00 METTL3 (0.45) METTL3KDM4EASPHKDM8CCNA2
SCHEMBL19664493 0.84 CCNA2 (0.49) METTL3CCNA2CDK2CCNA1PDE3B
Hydrochloric Acid SCHEMBL19664473 0.83 CCNA2 (0.48) METTL3CCNA2CDK2CCNA1PDE3B
SCHEMBL20745915 0.80 KDM4E (0.49) METTL3KDM4ENPSR1TSHRL3MBTL1
SCHEMBL1155424 0.73 NOS1 (0.42) METTL3CCNA2CDK2CCNA1METAP2
SCHEMBL9936674 0.73 PDE3B (0.42) KDM4EASPHKDM8ALDH1A1NPSR1
SCHEMBL492537 0.71 PRKAG1 (0.46) KDM4ECCNA2CDK2CCNA1IDO1
SCHEMBL3272822 0.71 PLK4 (0.44) KDM4EASPHKDM8ALDH1A1NPSR1
SCHEMBL29696517 0.71 PLK4 (0.44) KDM4EASPHKDM8ALDH1A1NPSR1
SCHEMBL30356824 0.71 PRKAG1 (0.46) KDM4ECCNA2CDK2CCNA1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230391770-A1 METTL3 INHIBITORY COMPOUNDS STORM THERAPEUTICS LIMITED (GB) 2023-12-07 US disclosed
WO-2022074379-A1 METTL3 INHIBITORY COMPOUNDS STORM THERAPEUTICS LIMITED (GB) 2022-04-14 WO disclosed
US-9944634-B2 Pyrazolopyridine derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2018-04-17 US disclosed
EP-2914597-B1 PYRAZOLOPYRIDINE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2017-12-06 EP disclosed
EP-3224258-A1 4,5,6,7-TETRAHYDRO-1 H-PYRAZOLO[4,3-C]PYRIDIN-3-AMINE COMPOUNDS AS CBP AND/OR EP300 INHIBITORS Genentech, Inc. (US) 2017-10-04 EP disclosed
WO-2016086200-A1 4,5,6,7-TETRAHYDRO-1 H-PYRAZOLO[4,3-C]PYRIDIN-3-AMINE COMPOUNDS AS CBP AND/OR EP300 INHIBITORS GENENTECH, INC. (US) 2016-06-02 WO disclosed
US-20150291582-A1 PYRAZOLOPYRIDINE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2015-10-15 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-20230391770-A1 METTL3 INHIBITORY COMPOUNDS METTL3, DIMT1, TPMT METTL3 1/4885KDM4E 79/4885ASPH 1417/4885
US-20150291582-A1 PYRAZOLOPYRIDINE DERIVATIVES AS TTX-S BLOCKERS SCN5A, KCNH2, CACNA1G METTL3 4675/4885KDM4E 2152/4885ASPH 4081/4885

“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.