Sugi Predict

Sugi Predict / Compounds / SCHEMBL7013535

SCHEMBL7013535

SCHEMBL7013535

COc1cc2nc(N3CCCN(C(=O)N4CCOCC4)CC3)cc(N)c2c(-c2ccccn2)c1OC

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.46
▸ HSD17B10 Q99714 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ HPGD P15428 2/20 0.46
▸ CDK5 Q00535 1/20 0.43
▸ CDK5R1 Q15078 1/20 0.43
▸ AKR1C3 P42330 3/20 0.43
▸ LMNA P02545 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ CASP1 P29466 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ BCHE P06276 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ BACE1 P56817 1/20 0.39
▸ TRPM8 Q7Z2W7 1/20 0.38
▸ CNR2 P34972 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
SCHEMBL7011059 0.91 KDM4E (0.41) KDM4EHSD17B10ALDH1A1HPGDCDK5
SCHEMBL6765566 0.90 AKR1C3 (0.45) KDM4EHSD17B10ALDH1A1HPGDAKR1C3
SCHEMBL7014090 0.88 ADRA1A (0.45) KDM4EHSD17B10ALDH1A1HPGDAKR1C3
SCHEMBL7014293 0.86 KDM4E (0.38) KDM4EHSD17B10ALDH1A1HPGDAKR1C3
SCHEMBL7007486 0.86 AKR1C3 (0.41) KDM4EHSD17B10ALDH1A1HPGDAKR1C3
SCHEMBL6772466 0.86 AKR1C3 (0.46) KDM4EHSD17B10ALDH1A1HPGDAKR1C3
SCHEMBL7012770 0.85 AKR1C3 (0.40) KDM4EHSD17B10ALDH1A1HPGDAKR1C3
SCHEMBL7012250 0.85 ALDH1A1 (0.41) KDM4EHSD17B10ALDH1A1HPGDAKR1C3
SCHEMBL7011047 0.85 KDM4E (0.47) KDM4EHSD17B10ALDH1A1HPGDAKR1C3
SCHEMBL6771632 0.85 AKR1C3 (0.41) KDM4EHSD17B10ALDH1A1HPGDAKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6653302-B2 Benign prostatic hyperplasia PFIZER INC. 2003-11-25 — — US disclosed
US-20030130259-A1 Quinoline and quinazoline compounds useful in therapy FOX DAVID NATHAN ABRAHAM (GB) 2003-07-10 — — US disclosed
EP-0968208-B1 QUINOLINE AND QUINAZOLINE COMPOUNDS USEFUL IN THERAPY, PARTICULARLY IN THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA PFIZER LTD (GB) 2003-06-04 — — EP disclosed
US-6521629-B2 2-amine substituted quinoline or quinozoline derivatives useful for treating benign prostatic hyperplasia PFIZER INC. 2003-02-18 — — US disclosed
US-20020040028-A1 Quinoline and quinazoline compounds useful in therapy FOX DAVID NATHAN ABRAHAM (GB) 2002-04-04 — — US disclosed
US-6365599-B1 FOR THERAPY OF BENIGN PROSTATIC HYPERPLASIA PFIZER, INC. 2002-04-02 — — US disclosed
US-6169093-B1 FOR TREATMENT OF BENIGN PROSTATIC HYPERPLASIA PFIZER INC. 2001-01-02 — — US 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-20030130259-A1 Quinoline and quinazoline compounds useful in therapy NQO2, RFT1, LPXN KDM4E 2897/4885HSD17B10 1122/4885ALDH1A1 498/4885
US-20020040028-A1 Quinoline and quinazoline compounds useful in therapy BPHL, LPXN, NQO2 KDM4E 2920/4885HSD17B10 1186/4885ALDH1A1 420/4885

“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.