SCHEMBL2799007

SCHEMBL2799007

CCOc1cc(F)c(C(=O)O)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.44
PLA2G4B P0C869 1/20 0.42
CAMKK1 Q8N5S9 1/20 0.41
CAMKK2 Q96RR4 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
HSD17B10 Q99714 3/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
MAPK1 P28482 1/20 0.41
RECQL P46063 1/20 0.41
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
PKM P14618 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41

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
SCHEMBL5104447 0.84 PLA2G2A (0.54) PLA2G4BTP53TSHRPLA2G2A
SCHEMBL2799354 0.83 PARP10 (0.50) PTGS2ALDH1A1MAPK1FFAR1FFAR4
SCHEMBL18186540 0.83 PTGS2 (0.40) PTGS2KDM4EFFAR1FFAR4SMN1; SMN2
SCHEMBL1583340 0.81 PLA2G2A (0.64) PLA2G4BTP53TSHRPLA2G2A
SCHEMBL8640999 0.81 PLA2G2A (0.64) PLA2G4BTP53TSHRPLA2G2A
SCHEMBL4850809 0.78 KDM4E (0.50) PTGS2PLA2G4BRXRARXRBHSD17B10
SCHEMBL29196803 0.78 SLC5A1 (0.50) PLA2G4BRXRARXRBHSD17B10KDM4E
SCHEMBL1646977 0.78 POLB (0.45) PTGS2RXRAKDM4EALDH1A1MAPK1
SCHEMBL13366264 0.77 RARA (0.55) CAMKK1CAMKK2HSD17B10KDM4EALDH1A1
SCHEMBL15086897 0.75 NQO1 (0.44) PTGS2HSD17B10KDM4EALDH1A1FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20080194556-A1 Quinazolines and Their Use as Aurora Kinase Inhibitors ASTRAZENECA AB (SE) 2008-08-14 US disclosed
EP-1888572-A1 QUINAZOLINES AND THEIR USE AS AURORA KINASE INHIBITORS AstraZeneca AB (SE) 2008-02-20 EP disclosed
WO-2007083096-A2 N- (2, 3-DIFLUOROPHENYL) -2- [4- ( {7-METHOXY-5- [ (2R) -PIPERIDIN. -2-YLMETHOXY] QUINAZOLI N-4-YL}AMINO) -LH-PYRAZOL-1-YL] ACETAMIDE AND N- (2, 3 -D I FLUORO PHENYL) -2- [4- ( {7-ETHOXY-5- [ (2R) -PIPERIDIN. -2-YLMETHOXY] QUINAZOLIN ASTRAZENECA AB (SE) 2007-07-26 WO disclosed
WO-2006129064-A1 QUINAZOLINES AND THEIR USE AS AURORA KINASE INHIBITORS ASTRAZENECA AB (SE) 2006-12-07 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-20080194556-A1 Quinazolines and Their Use as Aurora Kinase Inhibitors AURKA, AURKC, AURKB PTGS2 3754/4885PLA2G4B 3006/4885CAMKK1 726/4885
US-20100168143-A1 QUINAZOLINE DERIVATIVES CCNI, NQO2, MKI67 PTGS2 959/4885PLA2G4B 4212/4885CAMKK1 2995/4885

“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.