SCHEMBL467198

SCHEMBL467198

[c]1ccccc1-c1ncccn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.35
▸ LMNA P02545 3/20 0.35
▸ CCR1 P32246 2/20 0.35
▸ CCR5 P51681 2/20 0.35
▸ CCR8 P51685 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ METAP1 P53582 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ DOHH Q9BU89 1/20 0.35
▸ P4HTM Q9NXG6 1/20 0.35
▸ TDP1 Q9NUW8 3/20 0.34
▸ TP53 P04637 3/20 0.34
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ CYP2A6 P11509 1/20 0.32
▸ MAPK10 P53779 1/20 0.32
▸ GFER P55789 1/20 0.32
▸ NPC1 O15118 2/20 0.32

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
SCHEMBL608868 0.82 EGFR (0.30) —
SCHEMBL14860415 0.82 — —
SCHEMBL969567 0.81 — —
SCHEMBL4431608 0.81 — —
SCHEMBL28358269 0.79 HDAC4 (0.34) NPC1RAB9AHDAC8SMN1; SMN2
SCHEMBL10916917 0.78 NPC1 (0.33) NPC1RAB9A
SCHEMBL1853429 0.78 CYP1A2 (0.34) KDM4ELMNACCR1CCR5CYP1A2
SCHEMBL16196932 0.78 KDM4E (0.34) KDM4EPOLBNOS3NOS1NOS2
SCHEMBL37815 0.77 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8
SCHEMBL115447 0.76 CYP3A4 (0.33) ALOX15SMN1; 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 522 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117263912-A Azanaphthyl substituted electricity-absorbing fragment compound and application thereof 烟台显华科技集团股份有限公司 2023-12-22 — — CN claimed
US-20230374014-A1 CGAS INHIBITING TRIAZOLOPYRIMIDONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-11-23 — — US claimed
WO-2023055427-A1 SMALL MOLECULE ANTAGONISTS OF PF4 NEW YORK BLOOD CENTER, INC. (US) 2023-04-06 — — WO claimed
EP-4153593-A1 CGAS INHIBITING TRIAZOLOPYRIMIDONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2023-03-29 — — EP claimed
CN-115667265-A CGAS-inhibiting triazolopyrimidinone derivatives 豪夫迈·罗氏有限公司 2023-01-31 — — CN claimed
US-11322695-B2 Ink composition for organic light-emitting device, organic light-emitting device including film formed by using the ink composition, and method of manufacturing the organic light-emitting device SAMSUNG ELECTRONICS CO., LTD. (KR) 2022-05-03 — — US claimed
WO-2021233852-A1 CGAS INHIBITING TRIAZOLOPYRIMIDONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2021-11-25 — — WO claimed
CN-109311844-B Triazine compound, method for producing same, and organic electroluminescent element containing same as constituent component 东曹株式会社 2021-07-20 — — CN claimed
EP-3107898-B1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICALS CO (JP) 2021-01-06 — — EP claimed
US-20200295273-A1 INK COMPOSITION FOR ORGANIC LIGHT-EMITTING DEVICE, ORGANIC LIGHT-EMITTING DEVICE INCLUDING FILM FORMED BY USING THE INK COMPOSITION, AND METHOD OF MANUFACTURING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-09-17 — — US claimed
US-6153560-A INSECTICIDE, FUNGICIDE, MITICIDE, NEMATOCIDE BASF AKTIENGESELLSCHAFT (DE) 2000-11-28 — — US claimed
EP-0888311-A1 PYRIMIDYL PHENYL AND BENZYL ETHERS, PROCESS AND INTERMEDIATE PRODUCTS FOR THEIR PRODUCTION AND THEIR USE AS HERBICIDE BASF AKTIENGESELLSCHAFT (DE) 1999-01-07 — — EP claimed
WO-1997033874-A1 PYRIMIDYL PHENYL AND BENZYL ETHERS, PROCESS AND INTERMEDIATE PRODUCTS FOR THEIR PRODUCTION AND THEIR USE AS HERBICIDE BASF AKTIENGESELLSCHAFT (DE) 1997-09-18 — — WO claimed
EP-0262809-B1 Pyrimidinylphenyl ester compound TEIKOKU CHEM IND CO LTD (JP) 1994-05-11 — — EP claimed
CN-1059521-A The method and the intermediate that prepare 2-hydroxyl-3-thioether-3 phenylpropionic acid SMITHKLINE BEECHAM CO (US) 1992-03-18 — — CN claimed
EP-0321504-B1 CHIRAL ARYLOXY PROPIONIC ACID ESTERS AND THEIR USE AS DOPING AGENT IN LIQUID CRYSTAL PHASES HOECHST AKTIENGESELLSCHAFT (DE) 1992-01-08 — — EP claimed
US-5043094-A Optically active bisaryl compound ADEKA ARGUS CHEMICAL CO., LTD. (JP) 1991-08-27 — — US claimed
US-4985172-A CONVERT SMECTIIC INTO FERROELECTRIC LIQUID CRYSTALS HOECHST AG (DE) 1991-01-15 — — US claimed
EP-0321504-A1 CHIRAL ARYLOXY PROPIONIC ACID ESTERS AND THEIR USE AS DOPING AGENT IN LIQUID CRYSTAL PHASES. HOECHST AG (DE) 1989-06-28 — — EP claimed
WO-1988003525-A1 CHIRAL ARYLOXY PROPIONIC ACID ESTERS AND THEIR USE AS DOPING AGENT IN LIQUID CRYSTAL PHASES HOECHST AKTIENGESELLSCHAFT (DE) 1988-05-19 — — WO claimed

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-11322695-B2 Ink composition for organic light-emitting device, organic light-emitting device including film formed by using the ink composition, and method of manufacturing the organic light-emitting device TYR, IK, TH KDM4E 137/4885LMNA 1894/4885CCR1 1320/4885
US-20230374014-A1 CGAS INHIBITING TRIAZOLOPYRIMIDONE DERIVATIVES CGAS, GLS2, GBA3 KDM4E 4276/4885LMNA 1616/4885CCR1 4098/4885
US-20200295273-A1 INK COMPOSITION FOR ORGANIC LIGHT-EMITTING DEVICE, ORGANIC LIGHT-EMITTING DEVICE INCLUDING FILM FORMED BY USING THE INK COMPOSITION, AND METHOD OF MANUFACTURING THE ORGANIC LIGHT-EMITTING DEVICE TYR, IK, TH KDM4E 137/4885LMNA 1894/4885CCR1 1320/4885

“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.

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