SCHEMBL6762841

SCHEMBL6762841

COc1cc2nc(N3CCCNCC3)cc(N)c2c(-c2ccccc2)c1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 1/20 0.42
NCF1 P14598 2/20 0.42
ADRB1 P08588 1/20 0.42
ACVR1 Q04771 4/20 0.41
TGFBR1 P36897 3/20 0.41
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HRH4 Q9H3N8 1/20 0.39
APAF1 O14727 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
UBE2N P61088 1/20 0.39
HTR7 P34969 2/20 0.39
HTR1A P08908 1/20 0.39
HTR2B P41595 1/20 0.38
HTR3A P46098 1/20 0.38
STAT6 P42226 1/20 0.38

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 0.96 ADRB1 (0.45) NCF1ADRB1ACVR1TGFBR1KDM4E
SCHEMBL6762865 0.81 EHMT2 (0.47) ALDH1A1MAPTHPGDNPSR1
SCHEMBL6764902 0.81 KDM4E (0.40) KDM4EMAPTNPSR1
SCHEMBL6771912 0.80 ALDH1A1 (0.57) ACVR1TGFBR1KDM4EKMT2AAPAF1
SCHEMBL6771618 0.78 CKS1B (0.52)
SCHEMBL6765566 0.78 AKR1C3 (0.45) KDM4EALDH1A1HPGD
SCHEMBL6765711 0.78 CFD (0.39) KDM4EMAPTNPSR1
SCHEMBL6765595 0.77 CKS1B (0.49)
SCHEMBL6767219 0.76 ALDH1A1 (0.51) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL8130257 0.76 EZH2 (0.42) KDM4EHTR3A

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 ZAP70 4813/4885NCF1 2275/4885ADRB1 40/4885
US-20030220332-A1 Quinoline and quinazoline compounds useful in therapy NQO2, RFT1, ADRB3 ZAP70 4823/4885NCF1 2219/4885ADRB1 33/4885

“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.