SCHEMBL1491082

SCHEMBL1491082

COc1ccc(Cn2nccc2N)c(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.50
KDM4E B2RXH2 5/20 0.48
MAPK1 P28482 1/20 0.48
TP53 P04637 1/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
CYP3A4 P08684 1/20 0.42
DHFR P00374 1/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 2/20 0.41
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.40
NPBWR1 P48145 1/20 0.40
ERBB2 P04626 1/20 0.40
PRKACA P17612 1/20 0.40

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
SCHEMBL1491073 0.84 KDM4E (0.46) KDM4EMAPK1ALDH1A1MAPTCYP3A4
SCHEMBL28673707 0.83 APLNR (0.50) APLNRKDM4EMAPK1ALDH1A1MAPT
SCHEMBL1491059 0.81 NPBWR1 (0.48) KDM4EALDH1A1MAPTCYP3A4LMNA
SCHEMBL28206624 0.80 KDM4E (0.48) APLNRKDM4EMAPK1ALDH1A1MAPT
SCHEMBL1491062 0.78 MEN1 (0.49) KDM4EALDH1A1MAPTLMNATSHR
SCHEMBL1491091 0.78 CHRM2 (0.47) KDM4EALDH1A1MAPTDHFRLMNA
SCHEMBL18692166 0.78 APLNR (0.48) APLNRKDM4EMAPK1TP53ALDH1A1
Hydrochloric Acid SCHEMBL29442137 0.76 KDM4E (0.60) KDM4EALDH1A1MAPTCYP3A4PKM
Hydrochloric Acid SCHEMBL540053 0.76 KDM4E (0.60) KDM4EALDH1A1MAPTCYP3A4PKM
SCHEMBL4435852 0.75 KMT2A (0.43) KDM4EALDH1A1LMNAHPGDPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250179070-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF PREPARING COMPOUNDS AND OF THEIR USE AS ATR KINASE INHIBITORS REPARE THERAPEUTICS INC (CA) 2025-06-05 US disclosed
US-12264155-B2 Compounds, pharmaceutical compositions, and methods of preparing compounds and of their use as ATR kinase inhibitors REPARE THERAPEUTICS INC. (CA) 2025-04-01 US disclosed
CN-114174292-B Substituted 2-morpholinopyridine derivatives as ATR kinase inhibitors 修复治疗公司 2024-06-18 CN disclosed
US-20230091047-A1 FUSED RING PYRIMIDONE DERIVATIVES FOR USE IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES JANSSEN PHARMACEUTICA NV (BE) 2023-03-23 US disclosed
US-20220185809-A1 SUBSTITUTED 2-MORPHOLINOPYRIDINE DERIVATIVES AS ATR KINASE INHIBITORS REPARE THERAPEUTICS INC. (CA) 2022-06-16 US disclosed
US-20220185809-A1 SUBSTITUTED 2-MORPHOLINOPYRIDINE DERIVATIVES AS ATR KINASE INHIBITORS REPARE THERAPEUTICS INC. (CA) 2022-06-16 US disclosed
CN-114174292-A Substituted 2-morpholinopyridine derivatives as ATR kinase inhibitors 修复治疗公司 2022-03-11 CN disclosed
CN-113454080-A Compounds, pharmaceutical compositions and methods of making compounds and methods of use thereof 修复治疗公司 2021-09-28 CN disclosed
US-20210277002-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF PREPARING COMPOUNDS AND OF THEIR USE AS ATR KINASE INHIBITORS REPARE THERAPEUTICS INC. (CA) 2021-09-09 US disclosed
US-20210277002-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF PREPARING COMPOUNDS AND OF THEIR USE AS ATR KINASE INHIBITORS REPARE THERAPEUTICS INC. (CA) 2021-09-09 US disclosed
US-10906899-B2 Bicyclic fused pyrazole derivatives for the treatment of RSV GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2021-02-02 US disclosed
US-20190144441-A1 BICYCLIC FUSED PYRAZOLE DERIVATIVES FOR THE TREATMENT OF RSV GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2019-05-16 US disclosed
WO-2017196982-A1 BICYCLIC FUSED PYRAZOLE DERIVATIVES FOR THE TREATMENT OF RSV GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2017-11-16 WO disclosed
US-20110086889-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-04-14 US disclosed
EP-2288603-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2011-03-02 EP disclosed
WO-2009150614-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-12-17 WO 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 (8 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-20230091047-A1 FUSED RING PYRIMIDONE DERIVATIVES FOR USE IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES HAVCR2, HCCS, TYMP APLNR 3684/4885KDM4E 3402/4885MAPK1 3377/4885
US-20250179070-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF PREPARING COMPOUNDS AND OF THEIR USE AS ATR KINASE INHIBITORS ATR, CHEK2, CHEK1 APLNR 4277/4885KDM4E 3285/4885MAPK1 1229/4885
US-20220185809-A1 SUBSTITUTED 2-MORPHOLINOPYRIDINE DERIVATIVES AS ATR KINASE INHIBITORS ATR, CHEK2, CHEK1 APLNR 4619/4885KDM4E 2564/4885MAPK1 1196/4885
US-10906899-B2 Bicyclic fused pyrazole derivatives for the treatment of RSV NIPSNAP3A, ZC3HAV1, SARNP APLNR 3597/4885KDM4E 4730/4885MAPK1 4002/4885
US-20190144441-A1 BICYCLIC FUSED PYRAZOLE DERIVATIVES FOR THE TREATMENT OF RSV NIPSNAP3A, ZC3HAV1, SARNP APLNR 3597/4885KDM4E 4730/4885MAPK1 4002/4885
US-20110086889-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R APLNR 747/4885KDM4E 2955/4885MAPK1 3086/4885
US-12264155-B2 Compounds, pharmaceutical compositions, and methods of preparing compounds and of their use as ATR kinase inhibitors ATR, CHEK2, CHEK1 APLNR 4277/4885KDM4E 3285/4885MAPK1 1229/4885
US-20210277002-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF PREPARING COMPOUNDS AND OF THEIR USE AS ATR KINASE INHIBITORS ATR, CHEK2, CHEK1 APLNR 4277/4885KDM4E 3285/4885MAPK1 1229/4885

“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.