SCHEMBL6765595

SCHEMBL6765595

COc1cc2nc(N3CCN(C(=O)OC(C)(C)C)CC3)cc(N)c2c(-c2ccccc2)c1OC

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 2/20 0.49
SKP1 P63208 2/20 0.49
SKP2 Q13309 2/20 0.49
TLR9 Q9NR96 4/20 0.44
TLR7 Q9NYK1 2/20 0.44
MAP4K4 O95819 1/20 0.44
KIT P10721 1/20 0.43
SMARCA2 P51531 1/20 0.43
SMARCA4 P51532 1/20 0.43
PBRM1 Q86U86 1/20 0.43
BRD4 O60885 1/20 0.42
PGK1 P00558 1/20 0.42
GBA1 P04062 1/20 0.42
SUV39H2 Q9H5I1 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
SCHEMBL6771618 0.97 CKS1B (0.52) CKS1BSKP1SKP2TLR9TLR7
SCHEMBL6764902 0.84 KDM4E (0.40) CKS1BSKP1SKP2
SCHEMBL6765566 0.81 AKR1C3 (0.45)
SCHEMBL6765711 0.81 CFD (0.39)
SCHEMBL6764961 0.80 ADRB1 (0.45)
SCHEMBL6767219 0.80 ALDH1A1 (0.51)
SCHEMBL6765722 0.79 CNR2 (0.48) CKS1BSKP1SKP2
SCHEMBL6762841 0.77 ZAP70 (0.42)
SCHEMBL6762865 0.76 EHMT2 (0.47) TLR9TLR7
SCHEMBL6771678 0.74 AKR1C3 (0.40)

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 CKS1B 419/4885SKP1 1068/4885SKP2 663/4885
US-20030220332-A1 Quinoline and quinazoline compounds useful in therapy NQO2, RFT1, ADRB3 CKS1B 441/4885SKP1 1069/4885SKP2 760/4885

“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.