SCHEMBL22978631

SCHEMBL22978631

CCOc1cc(C(C)=O)ncc1C#N

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.42
TSHR P16473 1/20 0.42
XDH P47989 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
STK4 Q13043 8/20 0.42
FGFR4 P22455 2/20 0.41
KCNJ1 P48048 2/20 0.40
TTK P33981 1/20 0.39
MAPK8 P45983 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL24510016 0.85 LMNA (0.43) CYP3A4XDHLMNACYP1A2STK4
SCHEMBL22978512 0.85 KDM4E (0.46) XDHLMNACYP1A2KCNJ1SMN1; SMN2
SCHEMBL22978578 0.84 ALDH1A1 (0.43) FGFR4MAPK8SMN1; SMN2
SCHEMBL22990240 0.82 ALDH1A1 (0.44) CYP3A4TSHRXDHLMNACYP1A2
SCHEMBL22990318 0.76 TSHR (0.46) CYP3A4TSHRCYP1A2HSD17B10
SCHEMBL22980867 0.76 CYP3A4 (0.46) CYP3A4TSHRLMNA
SCHEMBL30525611 0.76 TSHR (0.46) CYP3A4TSHRCYP1A2HSD17B10
SCHEMBL22990369 0.76 STK4 (0.43) CYP3A4XDHLMNACYP1A2STK4
SCHEMBL22978661 0.76 CYP3A4 (0.42) CYP3A4TSHRXDHLMNACYP1A2
SCHEMBL24135448 0.76 S1PR2 (0.42) TSHRSMN1; 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 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
CN-116783188-A Dihydro-isoquinolone derivative and application thereof 上海奕拓医药科技有限责任公司 2023-09-19 CN 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-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-2021026672-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 CYP3A4 2772/4885TSHR 4810/4885XDH 2683/4885
US-20220289732-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS WDR5, WDR77, WDR1 CYP3A4 4769/4885TSHR 4836/4885XDH 3634/4885

“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.