SCHEMBL6764928

SCHEMBL6764928

COc1cc2nc(Cl)nc(N)c2c(I)c1OC

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
DHFR P00374 3/20 0.37
PDE5A O76074 1/20 0.37
CFD P00746 1/20 0.36
SLC10A2 Q12908 1/20 0.35
EGFR P00533 1/20 0.35
KDR P35968 1/20 0.35
DCPS Q96C86 1/20 0.35

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
SCHEMBL11212954 0.86 PDE5A (0.43) ALDH1A1SMN1; SMN2KDM4EDHFRPDE5A
SCHEMBL16689302 0.85 CFD (0.47) ALDH1A1SMN1; SMN2KDM4EDHFRPDE5A
SCHEMBL6767043 0.85 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2KDM4EHSP90AA1HSP90AB1
SCHEMBL16689309 0.82 CFD (0.45) ALDH1A1SMN1; SMN2KDM4EDHFRPDE5A
SCHEMBL7006512 0.82 DHFR (0.37) ALDH1A1KDM4EDHFRSLC10A2DCPS
SCHEMBL27387449 0.81 DHFR (0.36) ALDH1A1KDM4EDHFRSLC10A2DCPS
SCHEMBL27491850 0.79 HSP90AA1 (0.36) KDM4EHSP90AA1HSP90AB1PDE5ASLC10A2
SCHEMBL7652727 0.79 SLC10A2 (0.38) ALDH1A1SMN1; SMN2KDM4EDHFRPDE5A
SCHEMBL6765497 0.77 SLC10A2 (0.45) ALDH1A1SMN1; SMN2KDM4EDHFRSLC10A2
SCHEMBL7006183 0.75 PDGFRB (0.44) ALDH1A1SMN1; SMN2KDM4EDHFRSLC10A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1191249-C Quinoline and quinazoline compound for treating benign prostatic hyperplasia specially PFIZER (US) 2005-03-02 CN disclosed
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-6653302-B2 Benign prostatic hyperplasia PFIZER INC. 2003-11-25 US disclosed
US-6642242-B2 Antiproliferative agents to treat benign prostatic hyperplasia PFIZER INC. 2003-11-04 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
CN-1403453-A Quinoline and quinazoline compound for treating benign prostatic hyperplasia specially PFIZER (US) 2003-03-19 CN disclosed
US-6521629-B2 2-amine substituted quinoline or quinozoline derivatives useful for treating benign prostatic hyperplasia PFIZER INC. 2003-02-18 US disclosed
CN-1093858-C Quinoline and quinazoline compounds for the treatment, in particular for the treatment of benign prostatic hyperplasia PFIZER LTD (US) 2002-11-06 CN disclosed
US-20020049322-A1 Quinoline and quinazoline compounds useful in therapy COLLIS ALAN JOHN (GB) 2002-04-25 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
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
CN-1243513-A Quinoline and quinazoline compounds for the treatment, in particular for the treatment of benign prostatic hyperplasia PFIZER LTD (US) 2000-02-02 CN disclosed
EP-0968208-A1 QUINOLINE AND QUINAZOLINE COMPOUNDS USEFUL IN THERAPY, PARTICULARLY IN THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA Pfizer Limited (GB) 2000-01-05 EP disclosed
WO-1998030560-A1 QUINOLINE AND QUINAZOLINE COMPOUNDS USEFUL IN THERAPY, PARTICULARLY IN THE TREATMENT OF BEGNIN PROSTATIC HYPERPLASIA PFIZER LIMITED (GB) 1998-07-16 WO 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 (4 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 ALDH1A1 498/4885SMN1; SMN2 3889/4885KDM4E 2897/4885
US-20020049322-A1 Quinoline and quinazoline compounds useful in therapy NQO2, RFT1, IDH3B ALDH1A1 514/4885SMN1; SMN2 3821/4885KDM4E 2989/4885
US-20020040028-A1 Quinoline and quinazoline compounds useful in therapy BPHL, LPXN, NQO2 ALDH1A1 420/4885SMN1; SMN2 3990/4885KDM4E 2920/4885
US-20030220332-A1 Quinoline and quinazoline compounds useful in therapy NQO2, RFT1, ADRB3 ALDH1A1 557/4885SMN1; SMN2 3839/4885KDM4E 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.