SCHEMBL1078583

SCHEMBL1078583

c1ccc2c(c1)ncc1cccn12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 1.00
ALDH1A1 P00352 8/20 1.00
HPGD P15428 4/20 1.00
HSD17B10 Q99714 4/20 1.00
GAA P10253 2/20 1.00
GLA P06280 1/20 1.00
MAPT P10636 4/20 0.47
TDP1 Q9NUW8 4/20 0.47
PTPN1 P18031 2/20 0.47
CHEK1 O14757 1/20 0.47
LIMK1 P53667 1/20 0.47
MAPK14 Q16539 1/20 0.47
PTPN2 P17706 1/20 0.47
KMT2A Q03164 6/20 0.46
MEN1 O00255 5/20 0.46
MAPK1 P28482 4/20 0.46
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ATM Q13315 1/20 0.46

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
SCHEMBL29673192 1.00 KDM4E (1.00) KDM4EALDH1A1HPGDHSD17B10GAA
Carbon Dioxide SCHEMBL30932543 0.93 KDM4E (0.86) KDM4EALDH1A1HPGDHSD17B10GAA
Benzoquinone SCHEMBL30677004 0.90 KDM4E (0.81) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL29126970 0.80 KDM4E (0.67) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL31251989 0.79 KDM4E (0.66) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL29229082 0.78 KDM4E (0.63) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL31612336 0.77 ALDH1A1 (0.62) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL29229124 0.77 ALDH1A1 (0.62) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL30932617 0.77 KDM4E (0.62) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL31612371 0.77 ALDH1A1 (0.62) KDM4EALDH1A1HPGDHSD17B10GAA

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 86 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108948025-A A kind of preparation method of pyrrolo- [1,2-a] quinoxaline compounds of novel spiral cyclisation 兰州大学 2018-12-07 CN claimed
CN-108409743-A A kind of preparation method of pyrrolo- [1,2-a] quinoxaline compounds of alkyl nitrile substitution 兰州大学 2018-08-17 CN claimed
CN-104995191-A Tricyclic quinoline and quinoxaline derivatives ABBVIE DEUTSCHLAND 2015-10-21 CN claimed
CN-104418862-A Tricyclic chinoline and quinoxaline derivatives AbbVie Deutschland GmbH and Co KG 2015-03-18 CN claimed
EP-1539168-A2 TREATMENT OF NEUROPATHIC PAIN WITH 6H-PYRROLO(3,4-D)PYRIDAZINE COMPOUNDS Merck & Co., Inc. (US) 2005-06-15 EP claimed
WO-2004006836-A2 TREATMENT OF NEUROPATHIC PAIN WITH 6H-PYRROLO[3,4-D]PYRIDAZINE COMPOUNDS MERCK & CO., INC. (US) 2004-01-22 WO claimed
WO-2026106912-A1 RAS INHIBITORS Revolution Medicines, Inc. (US) 2026-05-21 WO disclosed
EP-4743080-A2 METHODS OF TREATING A RAS RELATED DISEASE OR DISORDER Revolution Medicines, Inc. (US) 2026-05-20 EP disclosed
WO-2026090245-A1 USE OF RAS INHIBITORS FOR TREATING CANCER Revolution Medicines, Inc. (US) 2026-04-30 WO disclosed
WO-2026090127-A1 METHODS OF TREATING A RAS PROTEIN-RELATED DISEASE OR DISORDER Revolution Medicines, Inc. (US) 2026-04-30 WO disclosed
US-20260108528-A1 METHODS OF TREATING A RAS PROTEIN-RELATED DISEASE OR DISORDER REVOLUTION MEDICINES INC (US) 2026-04-23 US disclosed
EP-4704850-A1 COMBINATION THERAPY FOR A RAS RELATED DISEASE OR DISORDER Revolution Medicines, Inc. (US) 2026-03-11 EP disclosed
EP-4687905-A1 COMPOSITIONS FOR INDUCING RAS GTP HYDROLYSIS AND USES THEREOF Revolution Medicines, Inc. (US) 2026-02-11 EP disclosed
EP-0636625-A2 Tricyclic diazepine vasopressin antagonists and oxytocin antagonists AMERICAN CYANAMID COMPANY (US) 1995-02-01 EP disclosed
US-4163745-A ANTIDIABETIC, HYPOGLYCEMIC PFIZER INC. (US) 1979-08-07 US disclosed
US-4141898-A Imidazo pyridinium quaternary salts as hypoglycemic agents PFIZER INC. (US) 1979-02-27 US disclosed
US-4129567-A IMIDAZOPYRIDINES AND ISOB IDINE PFIZER INC. (US) 1978-12-12 US disclosed
US-4093616-A PYRROLO(1,2-A)PYRAZINIUM, PYRAZOLO(1,5-A)PYRIDINIUM, 1H-IMIDAZO(2,1-A)ISOQUINOLINIUM, OR IMIDAZO(5,1-A)ISOQUINOLINIUM SALTS PFIZER INC. (US) 1978-06-06 US disclosed
US-4044015-A Imidazopyridinium compounds as hypoglycemic agents PFIZER INC. (US) 1977-08-23 US disclosed
US-3939159-A ANTICONVULSANT, CNS DEPRESSANT AMERICAN HOECHST CORPORATION (US) 1976-02-17 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 (1 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-20260108528-A1 METHODS OF TREATING A RAS PROTEIN-RELATED DISEASE OR DISORDER KRAS, NRAS, RAB1A KDM4E 1759/4885ALDH1A1 4312/4885HPGD 2067/4885

“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.