SCHEMBL4429202

SCHEMBL4429202

Nc1ncnc2cc(OCCCN3CCOCC3)ccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 4/20 0.55
KDR P35968 2/20 0.55
CHEK1 O14757 1/20 0.54
SIGMAR1 Q99720 3/20 0.53
HRH3 Q9Y5N1 3/20 0.53
MAPK1 P28482 2/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP1A2 P05177 1/20 0.53
CHRM2 P08172 1/20 0.53
CHRM1 P11229 1/20 0.53
HTR2A P28223 1/20 0.53
SCN1A P35498 1/20 0.53
HTR2B P41595 1/20 0.53
KCNH2 Q12809 1/20 0.53
SCN2A Q99250 1/20 0.53
SCN3A Q9NY46 1/20 0.53
FGFR1 P11362 2/20 0.53
USP2 O75604 1/20 0.52
LMNA P02545 1/20 0.52
AURKA O14965 2/20 0.51

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
SCHEMBL30783040 1.00 SRC (0.55) SRCKDRCHEK1SIGMAR1HRH3
SCHEMBL4690065 0.94 KDM4E (0.54) SRCKDRCHEK1ALDH1A1FGFR1
SCHEMBL239668 0.91 SIGMAR1 (0.56) SRCKDRCHEK1SIGMAR1HRH3
SCHEMBL30486269 0.89 MAP4K4 (0.51) SIGMAR1HRH3AURKAAURKB
SCHEMBL4416637 0.89 MAP4K4 (0.51) SIGMAR1HRH3AURKAAURKB
SCHEMBL4425324 0.87 HRH3 (0.54) SIGMAR1HRH3ALDH1A1USP2AURKA
SCHEMBL4506955 0.86 SRC (0.59) SRCKDRCHEK1SIGMAR1HRH3
Hydrochloric Acid SCHEMBL7865977 0.85 SRC (0.58) SRCKDRCHEK1SIGMAR1HRH3
SCHEMBL4420110 0.84 HPGD (0.44) SRCKDRCHEK1SIGMAR1HRH3
SCHEMBL29984833 0.83 HRH3 (0.55) SIGMAR1HRH3KCNH2

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
US-7498335-B2 Method of producing an antiangiogenic or vascular permeability reducing effect ASTRAZENECA AB (CH) 2009-03-03 US 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
CN-1360582-A Quinazoline derivs. ASTRAZENECA UK LTD (GB) 2002-07-24 CN 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

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 SRC 1588/4885KDR 39/4885CHEK1 2346/4885

“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.