SCHEMBL4086758

SCHEMBL4086758

CC(=O)Cc1cnccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.44
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
KDM4E B2RXH2 3/20 0.42
NAPRT Q6XQN6 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
TSHR P16473 2/20 0.41
ADORA3 P0DMS8 1/20 0.41
MC4R P32245 1/20 0.41
ADRA1A P35348 1/20 0.41
MC3R P41968 1/20 0.41
VNN1 O95497 2/20 0.40
SYK P43405 1/20 0.37
LMNA P02545 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
PARP14 Q460N5 1/20 0.36
ROCK2 O75116 1/20 0.36

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
SCHEMBL1926906 0.84 IDO1 (0.42) IDO1HDAC3HDAC1HDAC2HDAC6
SCHEMBL230691 0.83 HDAC3 (0.41) IDO1HDAC3HDAC1HDAC2HDAC6
SCHEMBL874457 0.81 KDM4E (0.48) IDO1HDAC3HDAC1HDAC2HDAC6
SCHEMBL10715442 0.80 IDO1 (0.42) IDO1HDAC3HDAC1HDAC2HDAC6
SCHEMBL1532612 0.80 HDAC3 (0.41) IDO1HDAC3HDAC1HDAC2HDAC6
SCHEMBL7299189 0.79 IDO1 (0.44) IDO1HDAC3HDAC1HDAC2HDAC6
SCHEMBL15572500 0.79 KDM4E (0.47) IDO1HDAC3HDAC1HDAC2HDAC6
Hydrochloric Acid SCHEMBL1373071 0.79 KDM4E (0.47) IDO1HDAC3HDAC1HDAC2HDAC6
SCHEMBL15571571 0.79 KDM4E (0.47) IDO1HDAC3HDAC1HDAC2HDAC6
SCHEMBL15572404 0.79 IDO1 (0.48) IDO1HDAC3HDAC1HDAC2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111282545-B Two-dimensional van der waals heterojunction and application thereof 东南大学 2022-03-11 CN claimed
CN-113512219-A Color-adjustable contact lens material and preparation method thereof 东南大学 2021-10-19 CN claimed
CN-111282545-A Two-dimensional van der waals heterojunction and application thereof 东南大学 2020-06-16 CN claimed
CN-117680105-A Energy-consumption-free air water production and precipitation bed and preparation method and application thereof 东南大学 2024-03-12 CN disclosed
US-11737463-B2 Pyridine and pyrazine compounds BASF SE (DE) 2023-08-29 US disclosed
US-11718626-B2 Macrocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-08-08 US disclosed
US-11643400-B2 MCL-1 inhibitors GILEAD SCIENCES, INC. (US) 2023-05-09 US disclosed
WO-2022272106-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. (US) 2022-12-29 WO disclosed
CN-113717114-B 2-acetylpyrazine continuous recrystallization device, method and application thereof 济南悟通生物科技有限公司 2022-12-02 CN disclosed
CN-113351177-B Humidity capturing gel, preparation method and application 东南大学 2022-08-26 CN disclosed
CN-113512219-B Color-adjustable contact lens material and preparation method thereof 东南大学 2022-05-31 CN disclosed
EP-1261600-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZYME IKK-2 AstraZeneca AB (SE) 2002-12-04 EP disclosed
US-20020107252-A1 Novel Compounds ASTRAZENECA AB (SE) 2002-08-08 US disclosed
WO-2001058890-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZYME IKK-2 ASTRAZENECA AB (SE) 2001-08-16 WO disclosed
EP-0119718-B1 SMOKING COMPOSITIONS CONTAINING A NOVEL MONOACYLPYRAZINE FLAVORANT Philip Morris Products Inc. (US) 1989-05-10 EP disclosed
US-4635652-A CIGARETTES PHILIP MORRIS INCORPORATED (US) 1987-01-13 US disclosed
US-4588813-A 1-pyrazinyl-1-propanone derivatives useful as flavorants in smoking compositions PHILIP MORRIS INCORPORATED (US) 1986-05-13 US disclosed
EP-0119718-A1 Smoking compositions containing a novel monoacylpyrazine flavorant Philip Morris Products Inc. (US) 1984-09-26 EP disclosed
EP-0076085-A1 Production of monoacylpyrazines PHILIP MORRIS INCORPORATED (US) 1983-04-06 EP disclosed
US-4303689-A Flavoring with pyrazine derivatives FIRMENICH SA (CH) 1981-12-01 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-11737463-B2 Pyridine and pyrazine compounds NDUFS5, IL5, NDUFS4 IDO1 559/4885HDAC3 2656/4885HDAC1 1418/4885
US-11718626-B2 Macrocyclic compounds for treatment of medical disorders CFD, TFPI, CFH IDO1 3698/4885HDAC3 2140/4885HDAC1 1546/4885
US-20020107252-A1 Novel Compounds UGT1A1, CYP1B1, CYP1A1 IDO1 238/4885HDAC3 123/4885HDAC1 99/4885
US-11643400-B2 MCL-1 inhibitors MCL1, BCL2L1, BCL2 IDO1 3333/4885HDAC3 491/4885HDAC1 204/4885

“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.