SCHEMBL6765648

SCHEMBL6765648

COc1ccc(C#N)c(I)c1OCC(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AR P10275 15/20 0.44
IMPDH2 P12268 1/20 0.40
IMPDH1 P20839 1/20 0.40
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PGR P06401 2/20 0.39

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
SCHEMBL6946088 0.85 AR (0.46) ARIMPDH2IMPDH1KDM4EUSP2
SCHEMBL4077294 0.80 ALDH1A1 (0.50) ARIMPDH2IMPDH1KDM4EUSP2
SCHEMBL6767370 0.75 KDM4E (0.41) KDM4EUSP2ALDH1A1
SCHEMBL19614570 0.74 AR (0.54) ARALDH1A1PGR
SCHEMBL6762758 0.70 MAPK8 (0.37) KDM4EALDH1A1
SCHEMBL15716231 0.69 S1PR1 (0.42) ARKDM4EUSP2ALDH1A1
SCHEMBL5203586 0.68 MAPT (0.40) KDM4EUSP2ALDH1A1
SCHEMBL24495415 0.68 ALDH1A1 (0.49) ARIMPDH2IMPDH1KDM4EUSP2
SCHEMBL3272602 0.68 ALDH1A1 (0.49) ARIMPDH2IMPDH1KDM4EUSP2
SCHEMBL4739057 0.68 AR (0.40) ARKDM4EUSP2ALDH1A1PGR

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 15 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-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
US-6521629-B2 2-amine substituted quinoline or quinozoline derivatives useful for treating benign prostatic hyperplasia PFIZER INC. 2003-02-18 US 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
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 AR 32/4885IMPDH2 1684/4885IMPDH1 1000/4885
US-20020049322-A1 Quinoline and quinazoline compounds useful in therapy NQO2, RFT1, IDH3B AR 33/4885IMPDH2 1555/4885IMPDH1 909/4885
US-20020040028-A1 Quinoline and quinazoline compounds useful in therapy BPHL, LPXN, NQO2 AR 34/4885IMPDH2 1502/4885IMPDH1 900/4885
US-20030220332-A1 Quinoline and quinazoline compounds useful in therapy NQO2, RFT1, ADRB3 AR 32/4885IMPDH2 1599/4885IMPDH1 924/4885

“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.