SCHEMBL27162159

SCHEMBL27162159

COc1cc(N2CCC(N3CCN(CC4CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)CC2)c(C2CC2)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 1/20 0.47
▸ CRBN Q96SW2 13/20 0.47
▸ IRAK1 P51617 2/20 0.46
▸ IRAK4 Q9NWZ3 2/20 0.46
▸ IRAK3 Q9Y616 2/20 0.46
▸ AR P10275 6/20 0.46
▸ DDB1 Q16531 2/20 0.44
▸ BTK Q06187 1/20 0.44
▸ PLK4 O00444 2/20 0.43
▸ ALK Q9UM73 2/20 0.42
▸ BRD9 Q9H8M2 1/20 0.41
▸ CCNC P24863 1/20 0.41
▸ CDK8 P49336 1/20 0.41
▸ NTRK3 Q16288 1/20 0.41
▸ HASPIN Q8TF76 1/20 0.41
▸ CDK19 Q9BWU1 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ ITK Q08881 1/20 0.40

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
SCHEMBL29976308 1.00 CDK9 (0.47) CDK9CRBNIRAK1IRAK4IRAK3
SCHEMBL29976842 0.98 CDK9 (0.49) CDK9CRBNIRAK1IRAK4IRAK3
SCHEMBL27161964 0.98 CDK9 (0.49) CDK9CRBNIRAK1IRAK4IRAK3
SCHEMBL29976262 0.98 CRBN (0.47) CDK9CRBNIRAK1IRAK4IRAK3
SCHEMBL27161991 0.98 CRBN (0.47) CDK9CRBNIRAK1IRAK4IRAK3
SCHEMBL29976265 0.96 CRBN (0.44) CDK9CRBNIRAK1IRAK4IRAK3
SCHEMBL27163130 0.96 CRBN (0.44) CDK9CRBNIRAK1IRAK4IRAK3
SCHEMBL28795245 0.93 CRBN (0.47) CDK9CRBNIRAK1IRAK4IRAK3
SCHEMBL29976075 0.93 CRBN (0.49) CDK9CRBNIRAK1IRAK4IRAK3
SCHEMBL27161955 0.93 CRBN (0.49) CDK9CRBNIRAK1IRAK4IRAK3

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 CDK9 269/4885CRBN 2155/4885IRAK1 1300/4885

“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.

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