SCHEMBL7250884

SCHEMBL7250884

COc1cc2nc(N3CCCN(S(=O)(=O)N4CCOCC4)CC3)nc(N)c2c(-c2ccccc2)c1OC

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CFD P00746 3/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL6765436 0.85 ADRA1A (0.47) CFDADRA1DADRA1AADRA1B
SCHEMBL6762612 0.83 CFD (0.49) CFDADRA1AADRA1B
Hydrochloric Acid SCHEMBL6808131 0.83 ADRA1D (0.49) ADRA1DADRA1AADRA1B
SCHEMBL6886512 0.79 CFD (0.47) CFDADRA1DADRA1AADRA1BALDH1A1
SCHEMBL6771912 0.78 ALDH1A1 (0.57) CFDALDH1A1KDM4EHPGDMAPT
SCHEMBL6766548 0.77 CFD (0.54) CFDADRA1DADRA1AADRA1BALDH1A1
SCHEMBL7014811 0.77 ADRA1A (0.44) CFDADRA1DADRA1AADRA1BALDH1A1
SCHEMBL6762678 0.76 CFD (0.44) CFDADRA1DADRA1AADRA1BALDH1A1
SCHEMBL6762675 0.76 CFD (0.44) CFDADRA1DADRA1AADRA1BALDH1A1
Hydrochloric Acid SCHEMBL6772489 0.76 CFD (0.47) CFDADRA1DADRA1AADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 3186/4885ADRA1D 23/4885ADRA1A 14/4885

“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.