SCHEMBL6839869

SCHEMBL6839869

CC(=O)C(=NO)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.63
CYP2C19 P33261 2/20 0.63
CES2 O00748 4/20 0.54
CES1 P23141 4/20 0.54
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 3/20 0.44
TSHR P16473 3/20 0.44
DAO P14920 1/20 0.44
NAPRT Q6XQN6 1/20 0.44
MAPT P10636 3/20 0.44
HSD17B10 Q99714 2/20 0.44
POLB P06746 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
KDM4E B2RXH2 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL10710889 1.00 GAA (0.63) GAACYP2C19CES2CES1NPC1
SCHEMBL6839865 1.00 GAA (0.63) GAACYP2C19CES2CES1NPC1
SCHEMBL5360093 0.81 GAA (0.68) GAACYP2C19CES2CES1NPC1
SCHEMBL11461735 0.81 GAA (0.68) GAACYP2C19CES2CES1NPC1
SCHEMBL4454729 0.81 GAA (0.68) GAACYP2C19CES2CES1NPC1
SCHEMBL11032602 0.80 HSD17B1 (0.48) GAACYP2C19CES2SMN1; SMN2ALDH1A1
SCHEMBL11491554 0.80 ALDH1A1 (0.50) GAACYP2C19CES2CES1NPC1
SCHEMBL11491555 0.80 ALDH1A1 (0.50) GAACYP2C19CES2CES1NPC1
SCHEMBL8532484 0.80 CES2 (0.52) GAACYP2C19CES2CES1NPC1
SCHEMBL12131284 0.80 GAA (0.65) GAACYP2C19CES2CES1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111244547-B Electrolyte containing aromatic oxime additive and preparation method and application thereof 四川虹微技术有限公司 2021-09-17 CN disclosed
US-11077107-B2 Triazolopyrazine BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2021-08-03 US disclosed
CN-111244547-A Electrolyte containing aromatic oxime additive and preparation method and application thereof 四川虹微技术有限公司 2020-06-05 CN disclosed
US-20190240219-A1 TRIAZOLOPYRAZINE BOEHRINGER INGELHEIM INT (DE) 2019-08-08 US disclosed
US-10328074-B2 Substituted [1,2,4]triazolo[4,3-a]pyrazines as BRD4 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-06-25 US disclosed
EP-2925761-B1 TRIAZOLOPYRAZINES AS BRD4 INHIBITORS FOR USE IN THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INT (DE) 2017-07-05 EP disclosed
US-20160129001-A1 SUBSTITUTED [1,2,4]TRIAZOLO[4,3-a]PYRAZINES AS BRD4 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2016-05-12 US disclosed
US-9266891-B2 Substituted [1,2,4]triazolo[4,3-A]pyrazines that are BRD4 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-02-23 US disclosed
EP-2925761-A1 TRIAZOLOPYRAZINE Boehringer Ingelheim International GmbH (DE) 2015-10-07 EP disclosed
WO-2014076237-A1 TRIAZOLOPYRAZINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-22 WO disclosed
EP-0146505-B1 IMAGE FORMATION PROCESS CIBA-GEIGY AG (CH) 1990-04-04 EP disclosed
US-4721734-A PHOTOPOLYMERIZATION OF UNSATURATED COMPOUNDS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1988-01-26 US disclosed
EP-0151372-A2 Image production CIBA-GEIGY AG (CH) 1985-08-14 EP disclosed
EP-0146505-A2 Image formation process CIBA-GEIGY AG (CH) 1985-06-26 EP disclosed
US-4477681-A PHOTOPOLYMERIZATION AND HARDENING OF PRINTING DYES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1984-10-16 US disclosed
US-4347111-A PHOTOPOLYMERIZATION OF UNSATURATED COMPOUNDS, HARDENING OF PRINTING DYES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1982-08-31 US disclosed
US-4330643-A Process for production of acryloyloxy- or methacryloyloxy-terminated polyesters TOAGOSEI CHEMICAL INDUSTRY CO., LTD. (JP) 1982-05-18 US disclosed
US-4229579-A OPTICAL BRIGHTENERS BAYER AKTIENGESELLSCHAFT (DE) 1980-10-21 US disclosed
US-4144243-A OPTICAL BRIGHTENERS FOR TEXTILES AND LACQUEARS BAYER AKTIENGESELLSCHAFT (DE) 1979-03-13 US disclosed
US-4005098-A BRIGHTENING AGENTS BAYER AKTIENGESELLSCHAFT (DT) 1977-01-25 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 (4 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-20190240219-A1 TRIAZOLOPYRAZINE MKI67, CCNI, CCNT2 GAA 1460/4885CYP2C19 533/4885CES2 1283/4885
US-20160129001-A1 SUBSTITUTED [1,2,4]TRIAZOLO[4,3-a]PYRAZINES AS BRD4 INHIBITORS BRD4, BRD3, BICRA GAA 4822/4885CYP2C19 3493/4885CES2 4048/4885
US-10328074-B2 Substituted [1,2,4]triazolo[4,3-a]pyrazines as BRD4 inhibitors BRD4, BRD3, BICRA GAA 4822/4885CYP2C19 3493/4885CES2 4048/4885
US-11077107-B2 Triazolopyrazine MKI67, CCNI, CCNT2 GAA 1460/4885CYP2C19 533/4885CES2 1283/4885

“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.