SCHEMBL3239272

SCHEMBL3239272

CCOc1cc2ncnc(Cl)c2cc1OC(C)=O

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 3/20 0.68
ALDH1A1 P00352 1/20 0.48
EGFR P00533 10/20 0.47
FBP1 P09467 4/20 0.44
ERBB2 P04626 1/20 0.40
PDGFRB P09619 1/20 0.39

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
SCHEMBL1999978 0.92 ENPP1 (0.54) ENPP1ALDH1A1EGFRPDGFRB
SCHEMBL1013257 0.87 ENPP1 (0.88) ENPP1ALDH1A1EGFRFBP1ERBB2
SCHEMBL3427630 0.86 ENPP1 (0.63) ENPP1EGFRPDGFRB
SCHEMBL8777 0.86 ENPP1 (0.63) ENPP1EGFRPDGFRB
Hydrochloric Acid SCHEMBL9097 0.85 ENPP1 (0.62) ENPP1EGFRPDGFRB
SCHEMBL24714036 0.85 ENPP1 (0.48) ENPP1EGFRFBP1ERBB2PDGFRB
SCHEMBL4224921 0.84 EGFR (0.48) ENPP1EGFRERBB2PDGFRB
SCHEMBL5231792 0.84 ENPP1 (0.48) ENPP1EGFRERBB2
SCHEMBL10290852 0.84 EGFR (0.48) ENPP1EGFRERBB2PDGFRB
SCHEMBL3766549 0.83 ENPP1 (0.52) ENPP1EGFRPDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117693505-A Heteroaryl derivative compounds and uses thereof 沃若诺伊公司 2024-03-12 CN disclosed
EP-4328222-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF Voronoi Inc. (KR) 2024-02-28 EP disclosed
WO-2022225238-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF 보로노이 주식회사 2022-10-27 WO disclosed
WO-2021231400-A1 BIS-ARYL ETHERS CONTAINING N-ACYL AZETIDINE AS EGFR/HER2 INHIBITORS ACCUTAR BIOTECHNOLOGY, INC. (US) 2021-11-18 WO disclosed
WO-2021231400-A1 BIS-ARYL ETHERS CONTAINING N-ACYL AZETIDINE AS EGFR/HER2 INHIBITORS ACCUTAR BIOTECHNOLOGY, INC. (US) 2021-11-18 WO disclosed
US-20170081293-A1 Functionalized Tyrosine Kinase Inhibitors Modified with Precious Metal Electrophiles and Methods Associated Therewith WAKE FOREST UNIVERSITY 2017-03-23 US disclosed
EP-1369418-B1 QUINAZOLINE DERIVATIVES MITSUBISHI TANABE PHARMA CORP (JP) 2010-07-28 EP disclosed
US-20070265260-A1 Quinazoline derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-11-15 US disclosed
US-7294629-B2 Quinazoline derivatives MITSUBISHI PHARMA CORPORATION (JP) 2007-11-13 US disclosed
US-20040116422-A1 Quinazoline derivatives MITSUBISHI PHARMA CORPORATION (JP) 2004-06-17 US disclosed
EP-1369418-A1 QUINAZOLINE DERIVATIVES Mitsubishi Pharma Corporation (JP) 2003-12-10 EP 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 (2 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-20170081293-A1 Functionalized Tyrosine Kinase Inhibitors Modified with Precious Metal Electrophiles and Methods Associated Therewith ABL1, EGFR, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 ENPP1 4630/4885ALDH1A1 3502/4885EGFR 2/4885
US-20070265260-A1 Quinazoline derivatives TYK2, ROR1, JAK1 ENPP1 2877/4885ALDH1A1 3381/4885EGFR 1535/4885

“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.