SCHEMBL4490456

SCHEMBL4490456

[O]CCCCN1CCCCCC1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.70
CYP1A2 P05177 1/20 0.52
MAPK1 P28482 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MAPT P10636 3/20 0.48
ALDH1A1 P00352 3/20 0.44
POLB P06746 1/20 0.44
ALOX15 P16050 1/20 0.44
SIGMAR1 Q99720 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
HRH1 P35367 1/20 0.42
ATM Q13315 1/20 0.40
CXCR4 P61073 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
SCHEMBL9077 1.00 HRH3 (0.70) HRH3CYP1A2MAPK1SMN1; SMN2MAPT
SCHEMBL5857530 0.97 HRH3 (0.75) HRH3CYP1A2MAPK1SMN1; SMN2MAPT
SCHEMBL1649755 0.97 HRH3 (0.75) HRH3CYP1A2MAPK1SMN1; SMN2MAPT
SCHEMBL378107 0.97 HRH3 (0.65) HRH3CYP1A2MAPK1SMN1; SMN2MAPT
SCHEMBL2092461 0.95 HRH3 (0.70) HRH3CYP1A2MAPK1SMN1; SMN2MAPT
SCHEMBL5256004 0.95 HRH3 (0.70) HRH3CYP1A2MAPK1SMN1; SMN2MAPT
SCHEMBL25335245 0.92
SCHEMBL9399 0.92 HRH3 (0.65) HRH3CYP1A2MAPK1SMN1; SMN2MAPT
SCHEMBL1098239 0.92 HRH3 (0.65) HRH3CYP1A2MAPK1SMN1; SMN2MAPT
SCHEMBL9128 0.89

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 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7501516-B2 Quinoline derivatives and their use as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2009-03-10 US claimed
EP-1381599-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2008-09-24 EP claimed
US-7223756-B2 Quinazoline compounds with therapeutic use ASTRAZENECA AB (SE) 2007-05-29 US claimed
EP-1453492-B1 USE OF QUINAZOLINES TO TREAT T-CELL MEDIATED DISEASES ASTRAZENECA AB (SE) 2007-01-24 EP claimed
US-7157467-B2 Administering compound such as 6-methoxy-4-(2,3-methylenedioxyanilino)-7-(3-morpholinopropoxy)quinazoline for therapy of an autoimmune disease or medical condition selected from transplant rejection and rheumatoid arthritis ASTRAZENECA AB (SE) 2007-01-02 US claimed
US-7141577-B2 Quinazoline derivatives ASTRAZENECA AB (SE) 2006-11-28 US claimed
EP-1409481-B1 QUINOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2006-10-04 EP claimed
US-7115615-B2 Quinazoline derivatives ASTRAZENECA (SE) 2006-10-03 US claimed
US-20050014773-A1 Therapeutic use ASTRAZENACA AB (SE) 2005-01-20 US claimed
US-20050009867-A1 Quinoline derivatives and their use as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2005-01-13 US claimed
US-20040034046-A1 Quinazoline derivatives ASTRAZENECA AB (SE) 2004-02-19 US claimed
EP-1381599-A1 QUINAZOLINE DERIVATIVES Astrazeneca AB (SE) 2004-01-21 EP claimed
WO-2003047584-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2003-06-12 WO claimed
WO-2003048159-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2003-06-12 WO claimed
WO-2003045364-A2 USE OF QUINAZOLINES TO TREAT T-CELL MEDIATED DISEASES ASTRAZENECA AB (SE) 2003-06-05 WO claimed
WO-2003045943-A1 QUINAZOLINE COMPOUNDS WITH THERAPEUTIC USE ASTRAZENECA AB (SE) 2003-06-05 WO claimed
EP-1313727-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2003-05-28 EP claimed
WO-2003008409-A1 QUINOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2003-01-30 WO claimed
WO-2002085895-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-10-31 WO claimed
WO-2002016352-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-02-28 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20050014773-A1 Therapeutic use CD4, HLA-DRB1, CD74 HRH3 27/4885CYP1A2 750/4885MAPK1 2233/4885
US-20050009867-A1 Quinoline derivatives and their use as tyrosine kinase inhibitors ABL1, FLT3, JAK2 HRH3 734/4885CYP1A2 1378/4885MAPK1 67/4885
US-20040034046-A1 Quinazoline derivatives NQO2, NRAS, TOP1 HRH3 309/4885CYP1A2 146/4885MAPK1 1008/4885

“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.