SCHEMBL9930247

SCHEMBL9930247

COC(=O)c1csc2c(NCc3ccc(OC)cc3OC)ncnc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 15/20 0.50
CYP3A4 P08684 15/20 0.50
CYP2C19 P33261 15/20 0.50
CYP2D6 P10635 14/20 0.50
HSD17B10 Q99714 11/20 0.50
ALDH1A1 P00352 11/20 0.50
CLK4 Q9HAZ1 10/20 0.50
LMNA P02545 7/20 0.50
MAPK1 P28482 6/20 0.50
USP2 O75604 6/20 0.50
MAPT P10636 2/20 0.49
AURKA O14965 2/20 0.49
RPS6KB1 P23443 2/20 0.49
TSHR P16473 11/20 0.47
CYP2C9 P11712 8/20 0.47
HIF1A Q16665 4/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
ALOX15 P16050 4/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL9930489 0.92 KDM4C (0.53) CYP1A2CYP3A4CYP2C19CYP2D6HSD17B10
SCHEMBL2233967 0.87 AURKA (0.47) CYP1A2CYP3A4CYP2C19CYP2D6HSD17B10
SCHEMBL30402747 0.84 CYP1A2 (0.51) CYP1A2CYP3A4CYP2C19CYP2D6HSD17B10
SCHEMBL15542062 0.84 CYP1A2 (0.51) CYP1A2CYP3A4CYP2C19CYP2D6HSD17B10
SCHEMBL9930862 0.83 CYP1A2 (0.55) CYP1A2CYP3A4CYP2C19CYP2D6HSD17B10
SCHEMBL24399750 0.83 CYP1A2 (0.48) CYP1A2CYP3A4CYP2C19CYP2D6HSD17B10
SCHEMBL15542246 0.83 CYP1A2 (0.52) CYP1A2CYP3A4CYP2C19CYP2D6HSD17B10
SCHEMBL10251198 0.82 AURKA (0.43) CYP1A2CYP3A4CYP2C19CYP2D6HSD17B10
SCHEMBL10285594 0.82 L3MBTL1 (0.45) CYP1A2CYP3A4CYP2C19CYP2D6HSD17B10
SCHEMBL29921676 0.82 CYP1A2 (0.49) CYP1A2CYP3A4CYP2C19CYP2D6HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312556-A1 ARYLAMIDE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-10-05 US disclosed
US-20230312556-A1 ARYLAMIDE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-10-05 US disclosed
US-20230312556-A1 ARYLAMIDE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-10-05 US disclosed
EP-4238967-A1 ARYLAMIDE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD THEREFOR AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2023-09-06 EP disclosed
EP-4238967-A1 ARYLAMIDE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD THEREFOR AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2023-09-06 EP disclosed
WO-2022089219-A1 ARYLAMIDE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2022-05-05 WO disclosed
US-20120157439-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2012-06-21 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 (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-20120157439-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF CYP1A2 2189/4885CYP3A4 2785/4885CYP2C19 2795/4885
US-20230312556-A1 ARYLAMIDE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD THEREFOR AND USE THEREOF AHR, ARNT, NOTUM CYP1A2 49/4885CYP3A4 91/4885CYP2C19 122/4885

“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.