SCHEMBL832252

SCHEMBL832252

CCOC(=O)c1cc2cccnc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.58
ALDH1A1 P00352 3/20 0.58
HPGD P15428 3/20 0.58
RAB9A P51151 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
NPC1 O15118 2/20 0.58
LMNA P02545 2/20 0.58
MEN1 O00255 1/20 0.58
GLA P06280 1/20 0.58
GAA P10253 1/20 0.58
MAPT P10636 1/20 0.58
KMT2A Q03164 1/20 0.58
ATM Q13315 1/20 0.58
MMP13 P45452 6/20 0.56
MMP2 P08253 4/20 0.56
MMP14 P50281 2/20 0.56
HSD17B10 Q99714 1/20 0.52
HRH4 Q9H3N8 2/20 0.52
HRH3 Q9Y5N1 2/20 0.52
POLB P06746 1/20 0.51

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
SCHEMBL4271585 0.85 HRH4 (0.57) HRH4HRH3ALOX15HTTRIPK1
SCHEMBL31088687 0.85 HRH4 (0.57) HRH4HRH3ALOX15HTTRIPK1
Hydrochloric Acid SCHEMBL1879831 0.84 HRH4 (0.56) HRH4HRH3ALOX15HTTRIPK1
SCHEMBL30853474 0.82 RAB9A (0.54) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL253780 0.82 ALDH1A1 (0.54) KDM4EALDH1A1NPC1LMNAGAA
SCHEMBL16505827 0.82 RAB9A (0.54) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL7684022 0.82 EGLN1 (0.52) RAB9ALMNAMAPTKMT2AMMP2
SCHEMBL12647218 0.81 HRH4 (0.56) HRH4HRH3RIPK1CNR2DAO
SCHEMBL30436104 0.79 ALOX15 (0.56) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL14208295 0.79 ALOX15 (0.56) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110312938-A1 Pyrrolopyridine Carboxylic Acid Derivatives IRONWOOD PHARMACEUTICALS, INC. (US) 2011-12-22 US claimed
US-20250302842-A1 HETEROCYCLIC COMPOUNDS USEFUL FOR TREATMENT OF CANCERS Jubilant Epipad LLC 2025-10-02 US disclosed
US-12357639-B2 Heterocyclic compounds as pad inhibitors Jubilant Epipad LLC (US) 2025-07-15 US disclosed
EP-3885342-B1 BICYCLIC INHIBITORS OF PAD4 PADLOCK THERAPEUTICS INC (US) 2024-11-20 EP disclosed
US-12076411-B2 Anti-HER2 antibody-maytansine conjugates and methods of use thereof REDWOOD BIOSCIENCE, INC. (US) 2024-09-03 US disclosed
CN-115703792-B Tricycle derivative and preparation method and medical application thereof 深圳信立泰药业股份有限公司 2024-08-13 CN disclosed
US-20240262792-A1 USP30 INHIBITORS AND USES THEREOF VINCERE BIOSCIENCES, INC. 2024-08-08 US disclosed
US-20240156831-A1 HETEROCYCLIC COMPOUNDS AS PAD INHIBITORS Jubilant Epipad LLC 2024-05-16 US disclosed
EP-3684767-B1 HETEROCYCLIC COMPOUNDS AS PAD INHIBITORS Jubilant Epipad LLC (US) 2024-04-24 EP disclosed
EP-3684767-B1 HETEROCYCLIC COMPOUNDS AS PAD INHIBITORS Jubilant Epipad LLC (US) 2024-04-24 EP disclosed
WO-2005000849-A1 5HT2C RECEPTOR AGONISTS FOR THE TREATMENT OF DIABETES AND OBESITY F. HOFFMANN-LA ROCHE AG (CH) 2005-01-06 WO disclosed
EP-1472255-A1 AZA-ARYLPIPERAZINES F. HOFFMANN-LA ROCHE AG (CH) 2004-11-03 EP disclosed
US-6800627-B1 CENTRAL NERVOUS SYSTEM, CARDIOVASCULAR AND GASTROINTESTINAL DISORDERS, DIABETES INSPIDUS, SLEEP APNEA VERNALIS RESEARCH LIMITED (GB) 2004-10-05 US disclosed
US-20040092525-A1 Pirazino(aza)indole derivatives VERNALIS RESEARCH LIMITED 2004-05-13 US disclosed
US-20040039200-A1 Pirazino(AZA)indole derivatives VERNALIS RESEARCH LIMITED 2004-02-26 US disclosed
US-20030207888-A1 Piperazine derivatives F.HOFFMANN-LA ROCHE AG (CH) 2003-11-06 US disclosed
WO-2003064423-A1 AZA-ARYLPIPERAZINES F. HOFFMANN-LA ROCHE AG (CH) 2003-08-07 WO disclosed
EP-1147110-B1 PYRAZINO(AZA)INDOLE DERIVATIVES VERNALIS RES LTD (GB) 2003-05-07 EP disclosed
EP-1147110-A1 PYRAZINO(AZA)INDOLE DERIVATIVES VERNALIS RESEARCH LIMITED (GB) 2001-10-24 EP disclosed
WO-2000044753-A1 PIRAZINO(AZA)INDOLE DERIVATIVES VERNALIS RESEARCH LIMITED (GB) 2000-08-03 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 (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-20250302842-A1 HETEROCYCLIC COMPOUNDS USEFUL FOR TREATMENT OF CANCERS NES, VHL, ETV6 KDM4E 2928/4885ALDH1A1 2833/4885HPGD 1666/4885
US-20240156831-A1 HETEROCYCLIC COMPOUNDS AS PAD INHIBITORS PADI4, PADI2, PADI1 KDM4E 341/4885ALDH1A1 86/4885HPGD 582/4885
US-20040092525-A1 Pirazino(aza)indole derivatives PIR, GPR119, INMT KDM4E 1333/4885ALDH1A1 452/4885HPGD 764/4885
US-20030207888-A1 Piperazine derivatives GPR119, CPT1B, CYP2E1 KDM4E 2114/4885ALDH1A1 36/4885HPGD 1063/4885
US-12076411-B2 Anti-HER2 antibody-maytansine conjugates and methods of use thereof ERBB2, EGFR, ERBB3 KDM4E 2372/4885ALDH1A1 1950/4885HPGD 1512/4885
US-12357639-B2 Heterocyclic compounds as pad inhibitors PADI4, PADI2, PADI1 KDM4E 341/4885ALDH1A1 86/4885HPGD 582/4885
US-20040039200-A1 Pirazino(AZA)indole derivatives PIR, GPR119, INMT KDM4E 1333/4885ALDH1A1 452/4885HPGD 764/4885
US-20240262792-A1 USP30 INHIBITORS AND USES THEREOF USP30, USP28, USP1 KDM4E 732/4885ALDH1A1 2021/4885HPGD 3509/4885
US-20110312938-A1 Pyrrolopyridine Carboxylic Acid Derivatives SDHA, ALDH5A1, SDHB KDM4E 3282/4885ALDH1A1 50/4885HPGD 284/4885

“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.