SCHEMBL6767370

SCHEMBL6767370

COc1cc(N)c(C#N)c(I)c1OCC(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.41
ALDH1A1 P00352 6/20 0.41
MAPT P10636 3/20 0.41
HSD17B10 Q99714 3/20 0.41
USP2 O75604 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
THRB P10828 1/20 0.41
G6PD P11413 1/20 0.41
ALOX15 P16050 1/20 0.41
CASP1 P29466 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SCN9A Q15858 1/20 0.36
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
HPGD P15428 3/20 0.34
GBA1 P04062 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34

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
SCHEMBL6948979 0.87 KDM4E (0.44) KDM4EALDH1A1MAPTHSD17B10USP2
SCHEMBL7015225 0.85 BPTF (0.43) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL5749526 0.84 ADORA2A (0.43) KDM4EALDH1A1MAPTHSD17B10USP2
SCHEMBL6762758 0.79 MAPK8 (0.37) KDM4EALDH1A1MAPTHSD17B10MEN1
SCHEMBL6765648 0.75 AR (0.44) KDM4EALDH1A1USP2
SCHEMBL6947525 0.73 ALDH1A1 (0.47) KDM4EALDH1A1MAPTHSD17B10USP2
SCHEMBL5203586 0.73 MAPT (0.40) KDM4EALDH1A1MAPTHSD17B10USP2
Hydrochloric Acid SCHEMBL5205490 0.71 MAPT (0.52) KDM4EALDH1A1MAPTHSD17B10USP2
SCHEMBL5751215 0.70 KDM4E (0.38) KDM4EMAPTHSD17B10ADORA2AADORA1
SCHEMBL6950804 0.70 MAPK8 (0.40) KDM4EALDH1A1MAPTHSD17B10ALOX15

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 KDM4E 2897/4885ALDH1A1 498/4885MAPT 3009/4885
US-20020049322-A1 Quinoline and quinazoline compounds useful in therapy NQO2, RFT1, IDH3B KDM4E 2989/4885ALDH1A1 514/4885MAPT 2957/4885
US-20020040028-A1 Quinoline and quinazoline compounds useful in therapy BPHL, LPXN, NQO2 KDM4E 2920/4885ALDH1A1 420/4885MAPT 2899/4885
US-20030220332-A1 Quinoline and quinazoline compounds useful in therapy NQO2, RFT1, ADRB3 KDM4E 2944/4885ALDH1A1 557/4885MAPT 3054/4885

“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.