SCHEMBL6771912

SCHEMBL6771912

COc1cc2nc(N3CCNCC3)nc(N)c2c(-c2ccccc2)c1OC

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
HPGD P15428 2/20 0.57
KDM4E B2RXH2 2/20 0.57
APAF1 O14727 1/20 0.57
POLB P06746 1/20 0.57
MAPT P10636 1/20 0.57
UBE2N P61088 1/20 0.57
HTR2A P28223 1/20 0.46
TGFBR1 P36897 1/20 0.45
ACVR1 Q04771 1/20 0.45
S1PR2 O95136 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
HIF1A Q16665 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CFD P00746 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
SCHEMBL6764961 0.83 ADRB1 (0.45) ALDH1A1HPGDKDM4EAPAF1POLB
SCHEMBL6762612 0.80 CFD (0.49) CFD
SCHEMBL6762841 0.80 ZAP70 (0.42) ALDH1A1HPGDKDM4EAPAF1POLB
SCHEMBL6766787 0.78 NPY1R (0.39)
SCHEMBL6771779 0.78 ALDH1A1 (0.68) ALDH1A1HPGDKDM4EMAPTLMNA
SCHEMBL6886512 0.78 CFD (0.47) ALDH1A1HPGDKDM4EHTR2ALMNA
SCHEMBL7250884 0.78 CFD (0.39) ALDH1A1HPGDKDM4EMAPTCFD
SCHEMBL6765436 0.78 ADRA1A (0.47) CFD
SCHEMBL29429638 0.78 ALDH1A1 (0.60) ALDH1A1HPGDKDM4EAPAF1POLB
SCHEMBL27387450 0.77 CFD (0.44) ALDH1A1KDM4EMAPTCFD

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 5 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-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-20030220332-A1 Quinoline and quinazoline compounds useful in therapy NQO2, RFT1, ADRB3 ALDH1A1 557/4885HPGD 533/4885KDM4E 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.