SCHEMBL6767155

SCHEMBL6767155

COc1cc(N)c(C#N)c(-c2ccccc2)c1OC

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.58
ADORA1 P30542 9/20 0.58
ALDH1A1 P00352 3/20 0.47
HSD17B10 Q99714 3/20 0.47
HPGD P15428 2/20 0.47
HTT P42858 2/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
RECQL P46063 1/20 0.47
CDK5 Q00535 1/20 0.47
DYRK1A Q13627 1/20 0.47
PTPN1 P18031 2/20 0.44
ADORA2B P29275 2/20 0.44
KDM4E B2RXH2 2/20 0.43
ALOX15 P16050 1/20 0.43
ADRA2A P08913 1/20 0.42
SQOR Q9Y6N5 1/20 0.42
FYN P06241 1/20 0.42

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
SCHEMBL6765074 0.85 G6PC1 (0.48) ADORA2AADORA1HSD17B10KDM4ESQOR
SCHEMBL5752518 0.80 ADORA2A (0.47) ADORA2AADORA1ALDH1A1HSD17B10HPGD
SCHEMBL15709444 0.78 ADORA1 (0.57) ADORA2AADORA1ALDH1A1HSD17B10HPGD
SCHEMBL6764895 0.78 ADORA2A (0.46) ADORA2AADORA1ALDH1A1HSD17B10HPGD
SCHEMBL5951260 0.76 PDE4B (0.59) ALDH1A1HSD17B10HPGDMAPTTSHR
SCHEMBL29672057 0.75 SQOR (0.55) ADORA2AADORA1ALDH1A1HSD17B10HPGD
SCHEMBL7913437 0.73 LMNA (0.51) ADORA2AADORA1ALDH1A1HSD17B10HPGD
SCHEMBL8596052 0.73 IMPDH2 (0.53) ADORA2AADORA1ALDH1A1HPGDKDM4E
SCHEMBL29152147 0.73 KDM4E (0.47) ADORA2AADORA1ALDH1A1HSD17B10HPGD
SCHEMBL10132601 0.73 IDO1 (0.45) ADORA2AADORA1ALDH1A1HPGDTSHR

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
US-6750214-B2 PARTICULARLY IN THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA COLLIS ALAN JOHN (US) 2004-06-15 US disclosed
US-20030220332-A1 Quinoline and quinazoline compounds useful in therapy PFIZER INC. 2003-11-27 US disclosed
US-6642242-B2 Antiproliferative agents to treat benign prostatic hyperplasia PFIZER INC. 2003-11-04 US disclosed
US-20020049322-A1 Quinoline and quinazoline compounds useful in therapy COLLIS ALAN JOHN (GB) 2002-04-25 US disclosed
US-6103738-A Quinoline and quinazoline compounds useful in therapy PFIZER INC. (US) 2000-08-15 US disclosed
EP-0877734-B1 QUINOLINE AND QUINAZOLINE COMPOUNDS USEFUL IN THERAPY PFIZER RES & DEV (IE) 2000-07-12 EP disclosed
CN-1205693-A Quinoline and quinazoline compounds useful in therapy PFIZER RES & DEV (IE) 1999-01-20 CN 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-20020049322-A1 Quinoline and quinazoline compounds useful in therapy NQO2, RFT1, IDH3B ADORA2A 3833/4885ADORA1 1610/4885ALDH1A1 514/4885
US-20030220332-A1 Quinoline and quinazoline compounds useful in therapy NQO2, RFT1, ADRB3 ADORA2A 3856/4885ADORA1 1512/4885ALDH1A1 557/4885

“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.