Sugi Predict

Sugi Predict / Compounds / SCHEMBL6764933

SCHEMBL6764933

SCHEMBL6764933

COc1cc2nc(N3CCCN(C(=O)N4CCOCC4)CC3)cc(N)c2c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.39
▸ AKR1C3 P42330 4/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ ITGB2 P05107 1/20 0.35
▸ ICAM1 P05362 1/20 0.35
▸ ITGAL P20701 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CFD P00746 1/20 0.34
▸ ADRA2A P08913 1/20 0.34
▸ ADRA2B P18089 1/20 0.34
▸ ADRA2C P18825 1/20 0.34
▸ ADRA1D P25100 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ ADRA1B P35368 1/20 0.34
▸ DRD3 P35462 1/20 0.34

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
SCHEMBL6767472 0.93 AKR1C3 (0.43) CNR2AKR1C3KDM4EALDH1A1HPGD
SCHEMBL6765104 0.89 KDM4E (0.40) CNR2AKR1C3KDM4EALDH1A1HPGD
SCHEMBL4603370 0.88 AKR1C3 (0.41) CNR2AKR1C3KDM4EALDH1A1HPGD
SCHEMBL6765566 0.87 AKR1C3 (0.45) CNR2AKR1C3KDM4EALDH1A1HPGD
SCHEMBL6772466 0.87 AKR1C3 (0.46) CNR2AKR1C3KDM4EALDH1A1HPGD
SCHEMBL6771632 0.86 AKR1C3 (0.41) CNR2AKR1C3KDM4EALDH1A1HPGD
SCHEMBL7012250 0.86 ALDH1A1 (0.41) CNR2AKR1C3KDM4EALDH1A1HPGD
SCHEMBL6767475 0.86 AKR1C3 (0.42) CNR2AKR1C3KDM4EALDH1A1HPGD
SCHEMBL7249486 0.85 AKR1C3 (0.40) CNR2AKR1C3KDM4EALDH1A1HPGD
SCHEMBL7009025 0.85 KDM4E (0.40) CNR2AKR1C3KDM4EALDH1A1HPGD

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 6 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

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 CNR2 512/4885AKR1C3 180/4885KDM4E 2989/4885
US-20030220332-A1 Quinoline and quinazoline compounds useful in therapy NQO2, RFT1, ADRB3 CNR2 517/4885AKR1C3 187/4885KDM4E 2944/4885

“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.