SCHEMBL6813096

SCHEMBL6813096

COc1cc2nc(Cl)nc(N)c2cc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHFR P00374 4/20 0.47
HTT P42858 1/20 0.46
ABCB1 P08183 1/20 0.45
KMT2A Q03164 2/20 0.44
WHR1 P49842 1/20 0.44
MEN1 O00255 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
DHPS P49366 1/20 0.43
P2RX3 P56373 1/20 0.42
P2RX2 Q9UBL9 1/20 0.42
ACACA Q13085 1/20 0.42
LMNA P02545 1/20 0.42
GLA P06280 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
SMARCA2 P51531 1/20 0.42

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
SCHEMBL29642054 0.81 POLB (0.59) HTTKMT2AMEN1LMNAGLA
SCHEMBL611438 0.81 POLB (0.59) HTTKMT2AMEN1LMNAGLA
SCHEMBL7693165 0.80 ABCB1 (0.50) ABCB1KMT2AMEN1LMNAGLA
Hydrochloric Acid SCHEMBL5251194 0.79 POLB (0.62) HTTKMT2AMEN1LMNAGLA
SCHEMBL10957061 0.78 POLB (0.49) DHFRHTTKMT2AMEN1LMNA
SCHEMBL6766790 0.77 ABCB1 (0.56) ABCB1
SCHEMBL6802737 0.77 AAK1 (0.48) DHFRABCB1WHR1P2RX3P2RX2
SCHEMBL27254053 0.77 DHFR (0.50) DHFRHTTKMT2AMEN1LMNA
SCHEMBL20280955 0.74 WHR1 (0.71) ABCB1KMT2AWHR1LMNAGLA
SCHEMBL27117037 0.74 WHR1 (0.71) HTTKMT2AWHR1MEN1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040034032-A1 Quinoline and quinazoline compounds useful in therapy PFIZER INC 2004-02-19 US disclosed
US-6649620-B2 Particularly in the treatment of benign prostatic hyperplasia. PFIZER INC. 2003-11-18 US disclosed
US-20030045525-A1 Quinoline and quinazoline compounds useful in therapy COLLIS ALAN JOHN (GB) 2003-03-06 US disclosed
EP-0875506-B1 Quinoline and quinazoline compounds useful in therapy PFIZER LTD (GB) 2003-02-26 EP disclosed
EP-0875506-A1 Quinoline and quinazoline compounds useful in therapy Pfizer Limited (GB) 1998-11-04 EP 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-20030045525-A1 Quinoline and quinazoline compounds useful in therapy NQO2, LPXN, BPHL DHFR 158/4885HTT 2893/4885ABCB1 998/4885
US-20040034032-A1 Quinoline and quinazoline compounds useful in therapy NQO2, LPXN, SDHA DHFR 141/4885HTT 3140/4885ABCB1 892/4885

“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.