SCHEMBL27161995

SCHEMBL27161995

COc1cc(N2CCC3(CCC(N4CCNCC4)CC3)CC2)c(-c2cnn(C)c2)cc1N

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.38
DRD2 P14416 1/20 0.38
RET P07949 5/20 0.37
CHEK1 O14757 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
MAPK10 P53779 1/20 0.34
PTK2 Q05397 1/20 0.34
ACVR1 Q04771 2/20 0.33
PIK3CD O00329 1/20 0.33
BMPR1A P36894 1/20 0.33
ACVRL1 P37023 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
AAK1 Q2M2I8 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
SCHEMBL27162829 0.92 RET (0.36) EGFRDRD2RETCHEK1CCNA2
SCHEMBL24780434 0.91 EGFR (0.44) EGFRRETCHEK1CCNA2CDK2
SCHEMBL25002878 0.84 EGFR (0.39) EGFRDRD2RETACVR1PIK3CD
SCHEMBL22950983 0.83 EGFR (0.45) EGFRRETMAPK8MAPK9MAPK10
SCHEMBL22950934 0.83 EGFR (0.45) EGFRPTK2ACVR1BMPR1AACVRL1
SCHEMBL22950966 0.83 EGFR (0.43) EGFRRETCHEK1CCNA2CDK2
SCHEMBL22950893 0.82 EGFR (0.51) EGFRPTK2ACVR1BMPR1A
SCHEMBL23759769 0.82 EGFR (0.48) EGFRRETPTK2ACVR1
SCHEMBL29757784 0.82 EGFR (0.51) EGFRPTK2ACVR1BMPR1A
SCHEMBL22950916 0.81 RET (0.39) EGFRRETACVR1PIK3CD

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 EGFR 1/4885DRD2 3415/4885RET 186/4885

“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.