SCHEMBL7006512

SCHEMBL7006512

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 5/20 0.37
MAPT P10636 2/20 0.37
CYP3A4 P08684 1/20 0.37
FYN P06241 2/20 0.36
CHEK2 O96017 1/20 0.36
ALDH1A1 P00352 3/20 0.35
GAA P10253 2/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
SLC10A2 Q12908 2/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
DCPS Q96C86 1/20 0.35
MEN1 O00255 1/20 0.34
ESR1 P03372 1/20 0.34
CHRM2 P08172 1/20 0.34
HTR1A P08908 1/20 0.34
CHRM1 P11229 1/20 0.34
MAOA P21397 1/20 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
SCHEMBL27387449 0.99 DHFR (0.36) DHFRMAPTCYP3A4FYNCHEK2
SCHEMBL6762383 0.85 MAPT (0.39) MAPTCYP3A4ALDH1A1GAAKDM4E
SCHEMBL6764928 0.82 ALDH1A1 (0.40) DHFRALDH1A1KDM4ESLC10A2DCPS
SCHEMBL6772470 0.77 SLC10A2 (0.45) DHFRFYNALDH1A1GAAHPGD
SCHEMBL6762248 0.76 MAPT (0.39) DHFRMAPTCYP3A4ALDH1A1GAA
SCHEMBL10758183 0.74 PDE3A (0.47) DHFRMAPTALDH1A1GAAHPGD
SCHEMBL27491850 0.73 HSP90AA1 (0.36) GAAKDM4ESLC10A2
SCHEMBL11217882 0.73 GAA (0.44) MAPTCYP3A4ALDH1A1GAAKDM4E
SCHEMBL10759787 0.71 PDE5A (0.40) MAPTCYP3A4
SCHEMBL6767043 0.70 SMN1; SMN2 (0.41) ALDH1A1KDM4ESLC10A2

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 9 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
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 (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 DHFR 139/4885MAPT 3009/4885CYP3A4 115/4885
US-20020040028-A1 Quinoline and quinazoline compounds useful in therapy BPHL, LPXN, NQO2 DHFR 114/4885MAPT 2899/4885CYP3A4 115/4885

“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.