SCHEMBL5218965

SCHEMBL5218965

COc1cc2c(Nc3cccc4c3OCO4)ncnc2cc1O

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.63
SRC P12931 2/20 0.63
RET P07949 12/20 0.62
KIF5B P33176 6/20 0.60
TTBK1 Q5TCY1 1/20 0.54
TTBK2 Q6IQ55 1/20 0.54
RAF1 P04049 2/20 0.52
BRAF P15056 2/20 0.52
EGFR P00533 2/20 0.51
FLT1 P17948 1/20 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
SCHEMBL13485425 0.96 KDR (0.63) KDRSRCRETKIF5BTTBK1
SCHEMBL13485424 0.85 KDR (0.63) KDRSRCRETKIF5BEGFR
SCHEMBL6407828 0.84 RET (0.53) KDRSRCRETKIF5BRAF1
SCHEMBL5217228 0.83 SRC (0.73) KDRSRCRETKIF5BEGFR
SCHEMBL5214357 0.83 SRC (0.75) KDRSRCRETKIF5BEGFR
SCHEMBL5220271 0.83 SRC (0.66) KDRSRCRETKIF5BRAF1
Hydrochloric Acid SCHEMBL5222294 0.82 KDR (0.67) KDRSRCRETKIF5BEGFR
SCHEMBL5221992 0.82 KDR (0.66) KDRSRCRETKIF5BEGFR
Hydrochloric Acid SCHEMBL5215666 0.82 KDR (0.68) KDRSRCRETTTBK1TTBK2
SCHEMBL14444609 0.81 TTBK1 (0.61) KDRSRCRETKIF5BTTBK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1453492-B1 USE OF QUINAZOLINES TO TREAT T-CELL MEDIATED DISEASES ASTRAZENECA AB (SE) 2007-01-24 EP disclosed
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 disclosed
US-7115615-B2 Quinazoline derivatives ASTRAZENECA (SE) 2006-10-03 US disclosed
US-20050014773-A1 Therapeutic use ASTRAZENACA AB (SE) 2005-01-20 US disclosed
EP-1453492-A2 USE OF QUINAZOLINES TO TREAT T-CELL MEDIATED DISEASES Astrazeneca AB (SE) 2004-09-08 EP disclosed
US-20040034046-A1 Quinazoline derivatives ASTRAZENECA AB (SE) 2004-02-19 US disclosed
WO-2003045364-A2 USE OF QUINAZOLINES TO TREAT T-CELL MEDIATED DISEASES ASTRAZENECA AB (SE) 2003-06-05 WO disclosed
EP-1313727-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2003-05-28 EP disclosed
WO-2002016352-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-02-28 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 (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-20050014773-A1 Therapeutic use CD4, HLA-DRB1, CD74 KDR 2580/4885SRC 3644/4885RET 2808/4885
US-20040034046-A1 Quinazoline derivatives NQO2, NRAS, TOP1 KDR 1995/4885SRC 2619/4885RET 2198/4885

“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.