SCHEMBL6209244

SCHEMBL6209244

CCOC(=O)C(C=O)OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
HSD17B10 Q99714 2/20 0.39
LMNA P02545 1/20 0.39
ALOX15 P16050 3/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
SOAT1 P35610 1/20 0.37
HCAR2 Q8TDS4 1/20 0.35
CAD P27708 1/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C19 P33261 2/20 0.35
TRPA1 O75762 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GLO1 Q04760 1/20 0.34
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL10333041 0.98 ALDH1A1 (0.39) ALDH1A1HSD17B10LMNAALOX15MGAM
SCHEMBL10758911 0.82 ALDH1A1 (0.40) ALDH1A1HSD17B10LMNAALOX15MGAM
SCHEMBL27969580 0.80 ALDH1A1 (0.39) ALDH1A1HSD17B10LMNAALOX15MGAM
SCHEMBL12643889 0.78 CYP2D6 (0.36) ALDH1A1HSD17B10LMNAALOX15MGAM
SCHEMBL11276513 0.78
SCHEMBL6208640 0.74 ATM (0.42) ALDH1A1LMNAHCAR2CYP2D6CYP2C19
SCHEMBL241537 0.73 ALDH1A1 (0.46) ALDH1A1HSD17B10LMNAALOX15MGAM
SCHEMBL10275655 0.73 ALDH1A1 (0.46) ALDH1A1HSD17B10LMNAALOX15MGAM
SCHEMBL1485970 0.71 ALDH1A1 (0.43) ALDH1A1HSD17B10LMNAALOX15MGAM
SCHEMBL524836 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9987277-B2 Carboxamide 4-[(4-pyridyl)amino] pryimidines for the treatment of hepatitis C JANSSEN SCIENCES IRELAND UC (IE) 2018-06-05 US disclosed
US-9987277-B2 Carboxamide 4-[(4-pyridyl)amino] pryimidines for the treatment of hepatitis C JANSSEN SCIENCES IRELAND UC (IE) 2018-06-05 US disclosed
EP-2097084-B1 CARBOXAMIDE 4-[(4-PYRIDYL)AMINO] PYRIMIDINES FOR THE TREATMENT OF HEPATITIS C JANSSEN R & D IRELAND (IE) 2015-01-28 EP disclosed
US-20130216498-A1 IMIDAZOPYRIDINE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2013-08-22 US disclosed
US-20130216498-A1 IMIDAZOPYRIDINE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2013-08-22 US disclosed
US-20090247523-A1 CARBOXAMIDE 4-[(4-PYRIDYL)AMINO]PYRIMIDINES USEFUL AS HCV INHIBITORS JANSSEN SCIENCES IRELAND UC (IE) 2009-10-01 US disclosed
US-20090247523-A1 CARBOXAMIDE 4-[(4-PYRIDYL)AMINO]PYRIMIDINES USEFUL AS HCV INHIBITORS JANSSEN SCIENCES IRELAND UC (IE) 2009-10-01 US disclosed
WO-2008040778-A2 CARBOXAMIDE 4-[(4-PYRIDYL)AMINO] PYRIMIDINES FOR THE TREATMENT OF HEPATITIS C TIBOTEC PHARMACEUTICALS LTD. (IE) 2008-04-10 WO disclosed
US-6962919-B2 Nitrogen-containing heterocyclic compounds, their production and use TAKEDA PHARMACEUTICAL CO., LTD. (JP) 2005-11-08 US disclosed
EP-1042325-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL (JP) 2005-09-21 EP disclosed
US-20020103210-A1 Nitrogen-containing heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. 2002-08-01 US disclosed
US-6413972-B1 5,8-DIHYDRO-3-METHYL-5-OXO-8-(1-OXO-1-PHENYL-2-PROPYL)-2 -PHENYLIMIDAZO(1,2-A)PYRIMIDINE-6-CARBOXYLIC ACID ETHYL ESTER; GONADOTROPIN-RELEASING HORMONE ANTAGONIZING ACTIVITY; LOW TOXICITY; ANTICARCINOGENIC AGENT; CONTRACEPTIVE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-02 US disclosed
US-6194419-B1 THERAPY FOR SEXUAL DISORDERS; A 5-OXOIMIDAZOLO(1,2-A)PYRIMIDINE-6-CARBOXYLIC ESTER TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-02-27 US disclosed
EP-1042325-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 2000-10-11 EP disclosed
WO-1999033831-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-08 WO disclosed
EP-0180298-B1 PYRIMIDINE COMPOUNDS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1991-09-25 EP disclosed
US-4694008-A HISTAMINE H2-ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1987-09-15 US disclosed
EP-0180298-A2 Pyrimidine compounds SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1986-05-07 EP disclosed
US-4048306-A ANTIBACTERIAL BOEHRINGER INGELHEIM GMBH (DT) 1977-09-13 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-20090247523-A1 CARBOXAMIDE 4-[(4-PYRIDYL)AMINO]PYRIMIDINES USEFUL AS HCV INHIBITORS HAVCR2, EIF2AK2, MAVS ALDH1A1 1298/4885HSD17B10 4309/4885LMNA 4285/4885
US-20020103210-A1 Nitrogen-containing heterocyclic compounds, their production and use GNRHR, NR5A1, SHBG ALDH1A1 3645/4885HSD17B10 854/4885LMNA 2867/4885
US-20130216498-A1 IMIDAZOPYRIDINE DERIVATIVES AS JAK INHIBITORS JAK1, JAK2, JAK3 ALDH1A1 1435/4885HSD17B10 4084/4885LMNA 4724/4885

“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.