SCHEMBL4025660

SCHEMBL4025660

O=C(O)Nc1cccc2c1OCO2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.57
ALDH1A1 P00352 2/20 0.57
MAPK1 P28482 1/20 0.57
KDM4E B2RXH2 1/20 0.57
LMNA P02545 1/20 0.57
HPGD P15428 1/20 0.57
ACVRL1 P37023 1/20 0.48
ABCB1 P08183 1/20 0.46
FLT1 P17948 1/20 0.46
FAAH O00519 1/20 0.44
KDM4C Q9H3R0 1/20 0.43
PTGS2 P35354 1/20 0.43
TTBK1 Q5TCY1 1/20 0.43
TTBK2 Q6IQ55 1/20 0.43
MT-CO2 P00403 1/20 0.42
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MRGPRX1 Q96LB2 1/20 0.40
DHODH Q02127 1/20 0.40
SYK P43405 1/20 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
SCHEMBL16703460 0.86 MRGPRX1 (0.52) POLBALDH1A1MAPK1KDM4ELMNA
SCHEMBL6823246 0.85 KDM4E (0.56) POLBALDH1A1MAPK1KDM4ELMNA
SCHEMBL6316842 0.85 LMNA (0.56) POLBALDH1A1MAPK1KDM4ELMNA
SCHEMBL30767870 0.84 PTGS2 (0.56) POLBALDH1A1MAPK1KDM4ELMNA
SCHEMBL10800257 0.83 MRGPRX1 (0.47) POLBALDH1A1MAPK1KDM4ELMNA
SCHEMBL24104862 0.80 HPGD (0.51) POLBALDH1A1MAPK1KDM4ELMNA
SCHEMBL17509878 0.80 ALDH1A1 (0.61) POLBALDH1A1MAPK1KDM4ELMNA
SCHEMBL11754066 0.79 ALDH1A1 (0.53) POLBALDH1A1MAPK1KDM4ELMNA
SCHEMBL4401130 0.78 LMNA (0.47) POLBALDH1A1MAPK1KDM4ELMNA
SCHEMBL11058830 0.78 EDNRA (0.43) POLBALDH1A1MAPK1KDM4EPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1528925-B1 QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2009-04-22 EP disclosed
US-7504408-B2 Quinzoline derivatives for use in the treatment of cancer ASTRAZENECA AB (SE) 2009-03-17 US disclosed
US-20070213367-A1 Substituted 3-cyanoquinolines as MEK inhibitors ASTRAZENECA AB 2007-09-13 US disclosed
EP-1409481-B1 QUINOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2006-10-04 EP disclosed
US-20050250797-A1 Quinzoline derivatives for use in the treatment of cancer ASTRAZENECA AB (SE) 2005-11-10 US disclosed
EP-1453492-A2 USE OF QUINAZOLINES TO TREAT T-CELL MEDIATED DISEASES Astrazeneca AB (SE) 2004-09-08 EP disclosed
WO-2003045364-A2 USE OF QUINAZOLINES TO TREAT T-CELL MEDIATED DISEASES ASTRAZENECA AB (SE) 2003-06-05 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-20070213367-A1 Substituted 3-cyanoquinolines as MEK inhibitors NRAS, BRAF, MAPK1 POLB 995/4885ALDH1A1 1951/4885MAPK1 3/4885
US-20050250797-A1 Quinzoline derivatives for use in the treatment of cancer TPD52L2, NQO2, CCNI POLB 1077/4885ALDH1A1 1137/4885MAPK1 2062/4885

“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.