SCHEMBL2799360

SCHEMBL2799360

COc1cc(OC[C@H]2CCCCN2C(=O)O)c2c(Cl)ncnc2c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.39
DAGLB Q8NCG7 4/20 0.39
LTA4H P09960 2/20 0.38
KMT2A Q03164 1/20 0.38
SRC P12931 4/20 0.38
PTGS2 P35354 1/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
ERBB2 P04626 2/20 0.36
F2RL3 Q96RI0 2/20 0.35
KDR P35968 1/20 0.35

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
SCHEMBL2797310 0.91 CAMKK1 (0.39) EGFRLTA4HKMT2AERBB2
SCHEMBL4620158 0.89 CAMKK1 (0.38) EGFRLTA4HERBB2
SCHEMBL3523231 0.83 SPHK2 (0.44) EGFRERBB2
SCHEMBL2799815 0.82 DAGLB (0.39) DAGLBLTA4HPTGS2F2RL3
SCHEMBL3521645 0.79 EGFR (0.65) EGFRERBB2
SCHEMBL3428136 0.79 F2RL3 (0.38) DAGLBF2RL3
SCHEMBL4923369 0.77 S1PR1 (0.34) KMT2ASRCERBB2KDR
SCHEMBL3429416 0.76 F2RL3 (0.36) DAGLBKMT2AF2RL3
SCHEMBL3283198 0.74 SLC2A1 (0.44) EGFRKMT2AKDR
SCHEMBL2797321 0.74 CPT1A (0.36) LTA4HKMT2A

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 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
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

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 EGFR 2065/4885DAGLB 4854/4885LTA4H 2849/4885

“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.