SCHEMBL27162829

SCHEMBL27162829

COc1cc(N2CCC3(CC2)CC(N2CCNCC2)C3)c(-c2cnn(C)c2)cc1N

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RET P07949 9/20 0.36
DRD2 P14416 1/20 0.36
EGFR P00533 2/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
PIK3CD O00329 1/20 0.34
KCNH2 Q12809 1/20 0.33
HDAC1 Q13547 1/20 0.33
CHEK1 O14757 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
TTK P33981 1/20 0.33

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
SCHEMBL27161995 0.92 EGFR (0.38) RETDRD2EGFRIRAK4PIK3CD
SCHEMBL24780434 0.88 EGFR (0.44) RETEGFRIRAK4CHEK1CCNA2
SCHEMBL25002878 0.83 EGFR (0.39) RETDRD2EGFRPIK3CDTTK
SCHEMBL22950916 0.82 RET (0.39) RETEGFRPIK3CDTTK
SCHEMBL22950983 0.80 EGFR (0.45) RETEGFR
SCHEMBL22950934 0.79 EGFR (0.45) EGFR
SCHEMBL22950966 0.79 EGFR (0.43) RETEGFRCHEK1CCNA2CDK2
SCHEMBL29877257 0.79 RET (0.39) RETEGFRIRAK4CHEK1CCNA2
SCHEMBL23759769 0.79 EGFR (0.48) RETEGFRKCNH2TTK
SCHEMBL29757784 0.79 EGFR (0.51) EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240269298-A1 PHOSPHONYL DERIVATIVE, AND COMPOSITION AND PHARMACEUTICAL APPLICATION THEREOF XIZANG HAISCO PHARMACEUTICAL CO., LTD. (CN) 2024-08-15 US disclosed
EP-4332100-A1 PHOSPHONYL DERIVATIVE, AND COMPOSITION AND PHARMACEUTICAL APPLICATION THEREOF Xizang Haisco Pharmaceutical Co., Ltd. (CN) 2024-03-06 EP disclosed
CN-117425646-A Phosphono derivative, composition thereof and pharmaceutical application thereof 西藏海思科制药有限公司 2024-01-19 CN disclosed
WO-2022228547-A1 PHOSPHONYL DERIVATIVE, AND COMPOSITION AND PHARMACEUTICAL APPLICATION THEREOF 四川海思科制药有限公司 2022-11-03 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 (1 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-20240269298-A1 PHOSPHONYL DERIVATIVE, AND COMPOSITION AND PHARMACEUTICAL APPLICATION THEREOF EGFR, BLK, CSNK1A1L RET 186/4885DRD2 3415/4885EGFR 1/4885

“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.