SCHEMBL6762865

SCHEMBL6762865

COc1cc2nc(N3CCCN(Cc4ccccc4)CC3)cc(N)c2c(-c2ccccc2)c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 5/20 0.47
CASP1 P29466 2/20 0.45
CASP5 P51878 2/20 0.45
ACHE P22303 1/20 0.43
BACE1 P56817 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
CASP4 P49662 1/20 0.42
SLC29A1 Q99808 1/20 0.42
DRD4 P21917 1/20 0.42
SLC2A1 P11166 1/20 0.41
TLR9 Q9NR96 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NSD2 O96028 2/20 0.40
NSD3 Q9BZ95 2/20 0.40
EHMT1 Q9H9B1 2/20 0.40
KDM1A O60341 1/20 0.40

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
SCHEMBL6764902 0.83 KDM4E (0.40) RAB9AMAPTNPSR1
SCHEMBL6762841 0.81 ZAP70 (0.42) MAPTNPSR1ALDH1A1HPGD
SCHEMBL6764961 0.81 ADRB1 (0.45) MAPTALDH1A1TP53HPGDTSHR
SCHEMBL6767219 0.80 ALDH1A1 (0.51) ACHEDRD4NPC1RAB9AMAPT
SCHEMBL6765566 0.79 AKR1C3 (0.45) CASP1RAB9AALDH1A1TP53HPGD
SCHEMBL6771618 0.79 CKS1B (0.52) TLR9TLR7
SCHEMBL6765711 0.78 CFD (0.39) EHMT2RAB9AMAPTNPSR1
SCHEMBL10614842 0.78 EHMT2 (0.61) EHMT2ACHEBACE1SLC2A1NSD2
SCHEMBL6766366 0.78 ALDH1A1 (0.54) ACHEDRD4NPC1RAB9AMAPT
Hydrochloric Acid SCHEMBL10616130 0.77 EHMT2 (0.60) EHMT2ACHEBACE1SLC2A1NSD2

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 EHMT2 2900/4885CASP1 2080/4885CASP5 2541/4885
US-20030220332-A1 Quinoline and quinazoline compounds useful in therapy NQO2, RFT1, ADRB3 EHMT2 2892/4885CASP1 2232/4885CASP5 2658/4885

“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.