SCHEMBL29876945

SCHEMBL29876945

Cc1ccc(N)c(P(C)(C)=O)c1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.34
TSHR P16473 3/20 0.34
TDP1 Q9NUW8 6/20 0.33
ALDH1A1 P00352 5/20 0.33
MAPT P10636 2/20 0.33
POLB P06746 1/20 0.33
CASP1 P29466 1/20 0.33
PIK3CA P42336 1/20 0.32
TDP2 O95551 1/20 0.31
NSD2 O96028 1/20 0.31
HSP90AA1 P07900 1/20 0.31
PAX8 Q06710 1/20 0.31
NOS3 P29474 1/20 0.31
NOS2 P35228 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TP53 P04637 1/20 0.30

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
SCHEMBL22942140 1.00 CYP3A4 (0.34) CYP3A4TSHRTDP1ALDH1A1MAPT
SCHEMBL23153965 0.79 ALDH1A1 (0.32) CYP3A4TSHRTDP1ALDH1A1MAPT
SCHEMBL13832186 0.74 CD44 (0.48) CYP3A4TSHRTDP1ALDH1A1MAPT
SCHEMBL30216899 0.74 CD44 (0.48) CYP3A4TSHRTDP1ALDH1A1MAPT
SCHEMBL22951284 0.74 HTR2C (0.34) CYP3A4TSHRPIK3CA
SCHEMBL23153967 0.74 ALDH1A1 (0.39) ALDH1A1MAPTHSD17B10
Phosphoric Acid SCHEMBL10840456 0.71 CYP3A4 (0.39) CYP3A4TSHRTDP1ALDH1A1MAPT
SCHEMBL974136 0.70 POLB (0.38) CYP3A4TSHRTDP1ALDH1A1MAPT
SCHEMBL24596963 0.68 ALDH1A1 (0.32) ALDH1A1
SCHEMBL33509 0.68 CYP3A4 (0.50) CYP3A4TSHRTDP1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250101052-A1 COMPOUND FOR EGFR KINASE INHIBITOR, COMPOSITION, AND USE THEREOF INNOVATION INSTITUTE FOR ARTIFICIAL INTELLIGENCE IN MEDICINE OF ZHEJIANG UNIVERSITY (CN) 2025-03-27 US disclosed
CN-116888108-B Novel EGFR degradation agent 上海齐鲁制药研究中心有限公司 2024-04-19 CN 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
CN-116888108-A Novel EGFR degradation agent 上海齐鲁制药研究中心有限公司 2023-10-13 CN disclosed
CN-115677772-B Compound and composition for EGFR kinase inhibitor and application thereof 浙江大学智能创新药物研究院 2023-08-18 CN disclosed
CN-116082399-A Condensed ring-2-aminopyrimidine compound, and composition and application thereof 浙江大学智能创新药物研究院 2023-05-09 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
WO-2022194269-A1 NOVEL EGFR DEGRADATION AGENT 上海齐鲁制药研究中心有限公司 2022-09-22 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 (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-20250101052-A1 COMPOUND FOR EGFR KINASE INHIBITOR, COMPOSITION, AND USE THEREOF EGFR, ERBB2, ERBB3 CYP3A4 1197/4885TSHR 973/4885TDP1 4147/4885

“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.