SCHEMBL2797258

SCHEMBL2797258

COc1cc(OC[C@H]2CCCCN2)c2c(Nc3cnn(CC(=O)Nc4cccc(F)c4F)c3)ncnc2c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AURKA O14965 10/20 0.48
PDGFRB P09619 5/20 0.48
CSF1R P07333 3/20 0.48
KIT P10721 2/20 0.48
PDGFRA P16234 2/20 0.48
CYP3A4 P08684 1/20 0.46
FLT4 P35916 5/20 0.46
FLT3 P36888 4/20 0.46
AURKB Q96GD4 1/20 0.40
EGFR P00533 2/20 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
SCHEMBL3428927 0.98 AURKA (0.49) AURKAPDGFRBCSF1RKITPDGFRA
SCHEMBL2798384 0.94 PDGFRB (0.46) AURKAPDGFRBCSF1RKITPDGFRA
SCHEMBL4611101 0.94 PDGFRB (0.46) AURKAPDGFRBCSF1RKITPDGFRA
SCHEMBL4926567 0.92 PDGFRB (0.46) AURKAPDGFRBCSF1RKITPDGFRA
SCHEMBL2798252 0.88 AURKA (0.53) AURKAPDGFRBCSF1RKITPDGFRA
SCHEMBL3427294 0.86 PDGFRB (0.58) AURKAPDGFRBCSF1RKITPDGFRA
Hydrochloric Acid SCHEMBL2799704 0.86 AURKA (0.50) AURKAPDGFRBCSF1RKITPDGFRA
SCHEMBL3429377 0.86 AURKA (0.52) AURKAPDGFRBCSF1RKITPDGFRA
SCHEMBL2050019 0.85 AURKA (0.59) AURKAPDGFRBCSF1RKITPDGFRA
SCHEMBL2053169 0.85 AURKA (0.53) AURKAPDGFRBCSF1RKITPDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100168143-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB 2010-07-01 US claimed
US-20100168143-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB 2010-07-01 US disclosed
EP-1979344-A2 N-(2,3-DIFLUOROPHENYL)-2-[4-({7-METHOXY-5-[(2R)-PIPERIDIN.-2-YLMETHOXY]QUINAZOLIN-4-YL}AMINO)-1H-PYRAZOL-1-YL]ACETAMIDE AND N-(2,3-DIFLUOROPHENYL)-2-[4-({7-ETHOXY-5-[(2R)-PIPERIDIN.-2-YLMETHOXY]QUINAZOLIN-4-YL}AMINO)-1H-PYRAZOL-1-YL]ACETAMIDE FOR USE IN THE TREATMENT OF DISEASE AstraZeneca AB (SE) 2008-10-15 EP 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-20100168143-A1 QUINAZOLINE DERIVATIVES CCNI, NQO2, MKI67 AURKA 342/4885PDGFRB 2351/4885CSF1R 2440/4885

“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.