SCHEMBL22978636

SCHEMBL22978636

COc1cc(C(C)O)ncc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.37
P2RX2 Q9UBL9 1/20 0.37
POLQ O75417 2/20 0.36
BCL6 P41182 2/20 0.33
PDGFRB P09619 3/20 0.33
PDGFRA P16234 3/20 0.33
APLNR P35414 2/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
GRM4 Q14833 1/20 0.32
HTT P42858 2/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
NAAA Q02083 1/20 0.32
NCOR2 Q9Y618 1/20 0.32
ALDH1A1 P00352 1/20 0.31
ALOX5 P09917 1/20 0.31

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
SCHEMBL30525606 1.00 P2RX3 (0.37) P2RX3P2RX2POLQBCL6PDGFRB
SCHEMBL21859435 0.85 P2RX3 (0.41) P2RX3P2RX2BCL6PDGFRBPDGFRA
SCHEMBL29743753 0.83 PTGS1 (0.37) HTTALDH1A1
SCHEMBL22978483 0.83 PTGS1 (0.37) HTTALDH1A1
SCHEMBL29743745 0.83 PTGS1 (0.37) HTTALDH1A1
SCHEMBL24510135 0.83 PTGS1 (0.37) HTTALDH1A1
SCHEMBL24509368 0.83 GRIN2B (0.33)
SCHEMBL29743750 0.83 PTGS1 (0.37) HTTALDH1A1
SCHEMBL22978515 0.82 P2RX3 (0.37) P2RX3P2RX2BCL6PDGFRBPDGFRA
SCHEMBL24510024 0.81 PDE2A (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240101535-A1 DIHYDROISOQUINOLINONE DERIVATIVE AND APPLICATION THEREOF ETERN BIOPHARMA (SHANGHAI) CO., LTD. (CN) 2024-03-28 US disclosed
EP-4261211-A1 DIHYDROISOQUINOLINONE DERIVATIVE AND APPLICATION THEREOF Etern Biopharma (Shanghai) Co., Ltd. (CN) 2023-10-18 EP disclosed
EP-4261211-A1 DIHYDROISOQUINOLINONE DERIVATIVE AND APPLICATION THEREOF Etern Biopharma (Shanghai) Co., Ltd. (CN) 2023-10-18 EP disclosed
US-20220289732-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS NOVARTIS AG (CH) 2022-09-15 US disclosed
WO-2022122037-A1 DIHYDROISOQUINOLINONE DERIVATIVE AND APPLICATION THEREOF 上海奕拓医药科技有限责任公司 2022-06-16 WO disclosed
WO-2022122037-A1 DIHYDROISOQUINOLINONE DERIVATIVE AND APPLICATION THEREOF 上海奕拓医药科技有限责任公司 2022-06-16 WO disclosed
EP-4010334-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS Novartis AG (CH) 2022-06-15 EP disclosed
WO-2021026672-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS NOVARTIS AG (CH) 2021-02-18 WO disclosed
WO-2021028806-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS NOVARTIS AG (CH) 2021-02-18 WO disclosed
WO-2021026672-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS NOVARTIS AG (CH) 2021-02-18 WO disclosed
WO-2021028806-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS NOVARTIS AG (CH) 2021-02-18 WO 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 (2 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-20240101535-A1 DIHYDROISOQUINOLINONE DERIVATIVE AND APPLICATION THEREOF WDR5, WDR1, WDR77 P2RX3 4408/4885P2RX2 4491/4885POLQ 2628/4885
US-20220289732-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS WDR5, WDR77, WDR1 P2RX3 4139/4885P2RX2 4242/4885POLQ 3554/4885

“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.