SCHEMBL1056554

SCHEMBL1056554

C=Cc1ccc2c(ccn2C(=O)OC(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.44
ABL1 P00519 2/20 0.44
EGFR P00533 2/20 0.44
HCK P08631 2/20 0.44
SRC P12931 2/20 0.44
KDR P35968 2/20 0.44
PIK3CA P42336 2/20 0.44
PIK3CB P42338 2/20 0.44
MTOR P42345 2/20 0.44
PIK3CG P48736 2/20 0.44
EPHB4 P54760 2/20 0.44
PRKDC P78527 2/20 0.44
PI4KB Q9UBF8 2/20 0.44
NR1H2 P55055 3/20 0.38
BUB1 O43683 1/20 0.37
CYP2A6 P11509 1/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37

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
SCHEMBL31229889 1.00 PIK3CD (0.44) PIK3CDABL1EGFRHCKSRC
SCHEMBL1058737 0.89 PIK3CD (0.37) PIK3CDABL1EGFRHCKSRC
SCHEMBL14865810 0.88 PIK3CD (0.44) PIK3CDABL1EGFRHCKSRC
SCHEMBL1056190 0.88 CYP2A6 (0.51) PIK3CDABL1EGFRHCKSRC
SCHEMBL21457948 0.85 PIK3CD (0.43) PIK3CDABL1EGFRHCKSRC
SCHEMBL21457950 0.85 PIK3CD (0.43) PIK3CDABL1EGFRHCKSRC
SCHEMBL30418492 0.85 PIK3CD (0.41) PIK3CDABL1EGFRHCKSRC
SCHEMBL12989264 0.84 PIK3CD (0.42) PIK3CDABL1EGFRHCKSRC
SCHEMBL12989265 0.84 PIK3CD (0.42) PIK3CDABL1EGFRHCKSRC
SCHEMBL19787499 0.84 PIK3CD (0.42) PIK3CDABL1EGFRHCKSRC

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 180 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115611854-B New method for preparing naratriptan and derivatives thereof 天津师范大学 2024-03-26 CN claimed
CN-113582915-B Synthesis method of 4-substituted pyridine compound 河南师范大学 2024-03-08 CN claimed
CN-115611854-A New method for preparing naratriptan and derivatives thereof 天津师范大学 2023-01-17 CN claimed
CN-120081864-A Synthesis method of 1, 3-diboron compound 西安交通大学 2025-06-03 CN disclosed
CN-119019950-B UV-curable high-performance pressure-sensitive adhesive tape and preparation method and application thereof 博益鑫成高分子材料股份有限公司 2025-02-11 CN disclosed
CN-119019950-A UV-curable high-performance pressure-sensitive adhesive tape and preparation method and application thereof 博益鑫成高分子材料股份有限公司 2024-11-26 CN disclosed
CN-115611781-B New method for preparing alkyl sulfonamide from fatty amine sulfonyl chloride 天津师范大学 2024-03-26 CN disclosed
CN-115611854-B New method for preparing naratriptan and derivatives thereof 天津师范大学 2024-03-26 CN disclosed
CN-115611854-B New method for preparing naratriptan and derivatives thereof 天津师范大学 2024-03-26 CN disclosed
CN-113582915-B Synthesis method of 4-substituted pyridine compound 河南师范大学 2024-03-08 CN disclosed
CN-115611781-A Novel method for preparing alkyl sulfonamide from fatty amine sulfonyl chloride 天津师范大学 2023-01-17 CN disclosed
US-20080103137-A1 Deazapurines and uses thereof EISAI CO., LTD. 2008-05-01 US disclosed
US-7314936-B2 Deazapurines and uses thereof EISAI CO., LTD. (JP) 2008-01-01 US disclosed
EP-1707566-A1 Deazapurines and uses thereof Eisai Co., Ltd. (JP) 2006-10-04 EP disclosed
EP-1474425-B1 DEAZAPURINES AND USES THEREOF EISAI CO LTD (JP) 2006-05-24 EP disclosed
EP-1556047-A2 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-07-27 EP disclosed
US-20050124649-A1 Deazapurines and uses thereof EISAI CO., LTD (JP) 2005-06-09 US disclosed
US-20040186127-A1 Novel deazapurines and uses thereof EISAI CO., LTD. (JP) 2004-09-23 US disclosed
WO-2004063336-A2 USES OF DEAZAPURINES FOR THE TREATMENT OF REPERFUSION INJURIES, OSTEOPOROSIS AND/OR BONE METASTASIS EISAI CO. LTD. (JP) 2004-07-29 WO disclosed
WO-2004032848-A2 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-04-22 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 (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-20050124649-A1 Deazapurines and uses thereof TPMT, CD38, CD2 PIK3CD 2922/4885ABL1 1396/4885EGFR 3535/4885
US-20080103137-A1 Deazapurines and uses thereof TPMT, TYMP, ENTPD5 PIK3CD 2770/4885ABL1 1375/4885EGFR 4514/4885
US-20040186127-A1 Novel deazapurines and uses thereof TPMT, ENTPD5, MTAP PIK3CD 2205/4885ABL1 2796/4885EGFR 4572/4885

“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.