SCHEMBL5049110

SCHEMBL5049110

CC(C(=O)O)c1cc(N)[nH]n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
HCAR2 Q8TDS4 2/20 0.37
HCAR3 P49019 2/20 0.37
DAO P14920 1/20 0.32
PTGS2 P35354 6/20 0.32
PTGS1 P23219 6/20 0.31
MAPT P10636 2/20 0.31
CXCR1 P25024 2/20 0.31
CXCR2 P25025 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
SLC22A6 Q4U2R8 2/20 0.31
RECQL P46063 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
PMP22 Q01453 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL4059035 0.70 ALDH1A1 (0.45) POLBPTGS2KDM4EALDH1A1LMNA
Toluene SCHEMBL2212138 0.70 POLB (0.42) POLBHCAR2HCAR3DAOPTGS2
SCHEMBL16746780 0.69 KMT2A (0.41) POLBDAOKDM4EALDH1A1CYP1A2
SCHEMBL926966 0.67 POLB (0.35) POLBPTGS2PTGS1MAPTCXCR1
SCHEMBL10957480 0.65 POLB (0.40) POLBPTGS2PTGS1MAPTCXCR1
SCHEMBL4662149 0.65 PTGS2 (0.39) POLBHCAR3PTGS2PTGS1MAPT
SCHEMBL12270026 0.64
SCHEMBL1565803 0.64 HSD17B10 (0.46) MAPTSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL909421 0.64 HCAR2 (0.46) POLBHCAR2HCAR3DAOPTGS2
SCHEMBL7797424 0.63 XIAP (0.46) POLBPTGS2PTGS1MAPTCXCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7402585-B2 Substituted quinazoline derivatives as inhibitors of aurora kinases ASTRAZENECA AB (SE) 2008-07-22 US disclosed
US-20050070561-A1 Substituted quinazoline derivatives as inhibitors of aurora kinases ASTRAZENECA AB (SE) 2005-03-31 US 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-20050070561-A1 Substituted quinazoline derivatives as inhibitors of aurora kinases AURKC, AURKA, AURKB POLB 1003/4885HCAR2 2826/4885HCAR3 2811/4885

“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.