SCHEMBL4424939

SCHEMBL4424939

NC(=S)Nc1ncnc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.56
EGFR P00533 3/20 0.53
ABCG2 Q9UNQ0 2/20 0.53
DAPK3 O43293 1/20 0.53
MAP4K4 O95819 1/20 0.53
ABL1 P00519 1/20 0.53
ERBB2 P04626 1/20 0.53
PIM1 P11309 1/20 0.53
PRKACA P17612 1/20 0.53
LTK P29376 1/20 0.53
MAPK8 P45983 1/20 0.53
CSNK1A1 P48729 1/20 0.53
RPS6KA3 P51812 1/20 0.53
LIMK1 P53667 1/20 0.53
MAP2K1 Q02750 1/20 0.53
ACVR1 Q04771 1/20 0.53
TYRO3 Q06418 1/20 0.53
MAP4K2 Q12851 1/20 0.53
ROCK1 Q13464 1/20 0.53
DYRK1A Q13627 1/20 0.53

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
SCHEMBL4745458 0.83 ADORA3 (0.65) ADORA3EGFRABCG2DAPK3MAP4K4
SCHEMBL4751092 0.83 ADORA3 (0.56) ADORA3EGFRABCG2DAPK3MAP4K4
SCHEMBL31004010 0.83 ADORA3 (0.65) ADORA3EGFRABCG2DAPK3MAP4K4
SCHEMBL28645156 0.76 ADORA3 (0.65) ADORA3EGFRABCG2DAPK3MAP4K4
SCHEMBL3874722 0.76 EGFR (0.61) ADORA3EGFRABCG2DAPK3MAP4K4
SCHEMBL18552030 0.76 EGFR (0.61) ADORA3EGFRABCG2DAPK3MAP4K4
SCHEMBL30317647 0.76 EGFR (0.61) ADORA3EGFRABCG2DAPK3MAP4K4
SCHEMBL8976752 0.75 EGFR (0.78) EGFRABCG2DAPK3MAP4K4ABL1
SCHEMBL27554878 0.74 PI4KA (0.53) ADORA3EGFRABCG2DAPK3MAP4K4
SCHEMBL27554876 0.73 ADORA3 (0.70) ADORA3EGFRABCG2DAPK3MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112946157-A Application of fluorescent thiourea derivatization reagent in 3-chloro-1, 2-propanediol detection 武汉轻工大学 2021-06-11 CN claimed
CN-112946157-B Application of fluorescent thiourea derivatization reagent in detection of 3-chloro-1, 2-propanediol 武汉轻工大学 2023-10-27 CN disclosed
CN-112946157-A Application of fluorescent thiourea derivatization reagent in 3-chloro-1, 2-propanediol detection 武汉轻工大学 2021-06-11 CN disclosed
US-7498335-B2 Method of producing an antiangiogenic or vascular permeability reducing effect ASTRAZENECA AB (CH) 2009-03-03 US disclosed
EP-1296973-B1 GUANIDINE DERIVATIVES OF QUINAZOLINE FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES ASTRAZENECA AB (SE) 2008-11-05 EP disclosed
EP-1218353-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA UK LTD (GB) 2007-10-17 EP disclosed
EP-1272185-B1 USE OF QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2005-07-27 EP disclosed
US-6806274-B1 IMMUNOREGULATION OR IMMUNOSUPPRESSIVE AGENTS; TYROSINE KINASE INHIBITORS; PREVENTING ORGAN TRANSPLANT REJECTION; AUTOIMMUNE CONDITIONS; REDUCED SIDE EFFECTS ASTRAZENECA UK LIMITED (GB) 2004-10-19 US disclosed
US-20030225111-A1 Therapy ASTRAZENECA AB (SE) 2003-12-04 US disclosed
EP-1272185-A2 USE OF QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS AstraZeneca AB (SE) 2003-01-08 EP disclosed
EP-1218353-A1 QUINAZOLINE DERIVATIVES AstraZeneca UK Limited (GB) 2002-07-03 EP disclosed
WO-2002002534-A1 QUINAZOLINES WITH THERAPEUTIC USE ASTRAZENECA AB (SE) 2002-01-10 WO disclosed
WO-2001066099-A2 USE OF QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2001-09-13 WO disclosed
WO-2001004102-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA UK LIMITED (GB) 2001-01-18 WO disclosed
US-4128643-A 4-Quinazolinyl-guanidines HOECHST AKTIENGESELLSCHAFT (DE) 1978-12-05 US 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-20030225111-A1 Therapy VEGFA, AQP1, FLT1 ADORA3 205/4885EGFR 1578/4885ABCG2 28/4885

“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.