SCHEMBL6802737

SCHEMBL6802737

COc1cc2nc(C(N)CCN)nc(N)c2cc1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 4/20 0.48
ABCB1 P08183 1/20 0.42
DHFR P00374 2/20 0.41
P2RX3 P56373 1/20 0.40
P2RX2 Q9UBL9 1/20 0.40
WHR1 P49842 1/20 0.38

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
SCHEMBL6813096 0.77 DHFR (0.47) ABCB1DHFRP2RX3P2RX2WHR1
Hydrochloric Acid SCHEMBL27800438 0.69 POLB (0.48) ABCB1
SCHEMBL20280955 0.68 WHR1 (0.71) ABCB1WHR1
SCHEMBL6623084 0.66 LMNA (0.50)
SCHEMBL12775191 0.66 POLB (0.56) ABCB1
Hydrochloric Acid SCHEMBL28182851 0.66 WHR1 (0.56) ABCB1WHR1
Hydrochloric Acid SCHEMBL6770342 0.65 LMNA (0.49)
SCHEMBL24049723 0.64 PGR (0.56) P2RX3P2RX2
SCHEMBL7649916 0.63 PGR (0.49) P2RX3P2RX2
SCHEMBL19683672 0.63 PGR (0.60)

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 AAK1 4309/4885ABCB1 998/4885DHFR 158/4885
US-20040034032-A1 Quinoline and quinazoline compounds useful in therapy NQO2, LPXN, SDHA AAK1 4389/4885ABCB1 892/4885DHFR 141/4885

“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.