SCHEMBL6886512

SCHEMBL6886512

COc1cc2nc(N3CCC(C(=O)N4CCOCC4)CC3)nc(N)c2c(-c2ccccc2)c1OC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 2/20 0.47
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 4/20 0.46
GLA P06280 4/20 0.46
HSD17B10 Q99714 3/20 0.46
GAA P10253 3/20 0.46
MAPK1 P28482 2/20 0.46
ADRA2A P08913 2/20 0.46
ADRA2B P18089 2/20 0.46
ADRA2C P18825 2/20 0.46
DRD1 P21728 2/20 0.46
ADRA1D P25100 2/20 0.46
ADRA1A P35348 2/20 0.46
ADRA1B P35368 2/20 0.46
OPRM1 P35372 2/20 0.46
OPRK1 P41145 2/20 0.46
KCNH2 Q12809 2/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL6762675 0.95 CFD (0.44) CFDKDM4EALDH1A1HPGDGLA
SCHEMBL6762678 0.95 CFD (0.44) CFDKDM4EALDH1A1HPGDGLA
SCHEMBL6762612 0.89 CFD (0.49) CFDADRA1AADRA1B
SCHEMBL6764918 0.87 KDM4E (0.41) CFDKDM4EALDH1A1HPGDGLA
SCHEMBL6764917 0.87 KDM4E (0.41) CFDKDM4EALDH1A1HPGDGLA
SCHEMBL6765436 0.86 ADRA1A (0.47) CFDADRA2AADRA2BADRA2CADRA1D
SCHEMBL7253023 0.85 KDM4E (0.67) CFDKDM4EALDH1A1HPGDGLA
SCHEMBL7677675 0.84 KDM4E (0.63) CFDKDM4EALDH1A1HPGDGLA
SCHEMBL6771631 0.80 KMT2A (0.72) KDM4EALDH1A1HPGDGLAHSD17B10
SCHEMBL7014811 0.80 ADRA1A (0.44) CFDKDM4EALDH1A1HPGDGLA

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 CFD 3186/4885KDM4E 2989/4885ALDH1A1 514/4885
US-20030220332-A1 Quinoline and quinazoline compounds useful in therapy NQO2, RFT1, ADRB3 CFD 3094/4885KDM4E 2944/4885ALDH1A1 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.