SCHEMBL4728705

SCHEMBL4728705

COc1cc2cncnc2cc1O

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.51
FGFR4 P22455 1/20 0.48
PDGFRB P09619 4/20 0.42
PDGFRA P16234 4/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CGAS Q8N884 1/20 0.38

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
Hydrochloric Acid SCHEMBL28202312 0.98 EGFR (0.50) EGFRFGFR4PDGFRBPDGFRAALDH1A1
SCHEMBL4593258 0.93 EGFR (0.51) EGFRFGFR4PDGFRBPDGFRAALDH1A1
Hydrochloric Acid SCHEMBL27988358 0.92 EGFR (0.50) EGFRFGFR4PDGFRBPDGFRAALDH1A1
Formaldehyde SCHEMBL28199969 0.87 EGFR (0.46) EGFRFGFR4PDGFRBPDGFRAALDH1A1
SCHEMBL6030966 0.85 EGFR (0.46) EGFRFGFR4PDGFRBPDGFRAALDH1A1
SCHEMBL241727 0.85 EGFR (0.58) EGFRFGFR4PDGFRBPDGFRAALDH1A1
Hydrochloric Acid SCHEMBL8814048 0.84 EGFR (0.56) EGFRFGFR4PDGFRBPDGFRAALDH1A1
SCHEMBL28703821 0.82 EGFR (0.44) EGFRFGFR4PDGFRBPDGFRAALDH1A1
SCHEMBL3896815 0.81 EGFR (0.53) EGFRFGFR4PDGFRBPDGFRAALDH1A1
Formaldehyde SCHEMBL28061098 0.81 EGFR (0.53) EGFRFGFR4PDGFRBPDGFRAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113200966-B Furosetinib derivative, pharmaceutical composition and application 深圳大学 2022-07-22 CN disclosed
US-20080306096-A1 Quinazoline Derivatives, Process for Their Preparation and Their Use as Anti-Cancer Agents ASTRAZENECA AB (SE) 2008-12-11 US disclosed
WO-2008020302-A2 HETEROAROMATIC QUINOLINE-BASED COMPOUNDS AS PHOSPHODIESTERASE (PDE) INHIBITORS PFIZER PRODUCTS INC. (US) 2008-02-21 WO disclosed
WO-2008020302-A2 HETEROAROMATIC QUINOLINE-BASED COMPOUNDS AS PHOSPHODIESTERASE (PDE) INHIBITORS PFIZER PRODUCTS INC. (US) 2008-02-21 WO disclosed
US-5736534-A HYPERPROLIFERATIVE DISEASES; INHIBITORS OF PROTEIN-TYROSINE KINASES SUCH AS EPIDERMAL GROWTH FACTOR RECEPTOR; BRAIN, LUNG, BREAST CANCER; PSORIASIS AND BENIGN PROSTATE HYPERPLASIA PFIZER INC. (US) 1998-04-07 US disclosed
EP-0746554-A1 4-HETEROCYCLYL-SUBSTITUTED QUINAZOLINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS ANTI-CANCER AGENTS PFIZER INC. (US) 1996-12-11 EP disclosed
WO-1995023141-A1 4-HETEROCYCLYL-SUBSTITUTED QUINAZOLINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS ANTI-CANCER AGENTS PFIZER INC. (US) 1995-08-31 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-20080306096-A1 Quinazoline Derivatives, Process for Their Preparation and Their Use as Anti-Cancer Agents BRAF, RAF1, NRAS EGFR 1237/4885FGFR4 1512/4885PDGFRB 1157/4885

“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.