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
SCHEMBL16196932 0.78 KDM4E (0.34) KDM4EPOLBNOS3NOS1NOS2
SCHEMBL10916917 0.78 NPC1 (0.33) NPC1RAB9A
SCHEMBL1853429 0.78 CYP1A2 (0.34) KDM4ELMNACCR1CCR5CYP1A2
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.