SCHEMBL5351029

SCHEMBL5351029

COc1ccc(-c2ccc3c(c2)CCN(c2ncnc4c5c(c(OC)cc24)OCO5)C3)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
MAPT P10636 5/20 0.44
MAPK1 P28482 5/20 0.44
NPSR1 Q6W5P4 2/20 0.44
AURKA O14965 1/20 0.42
RPS6KB1 P23443 1/20 0.42
AURKB Q96GD4 1/20 0.42
ABCB1 P08183 5/20 0.38
ALDH1A1 P00352 4/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PDE10A Q9Y233 2/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ABCC1 P33527 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37

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
SCHEMBL5791238 0.86 AURKA (0.49) KDM4EMAPTMAPK1NPSR1AURKA
SCHEMBL14407967 0.86 MAPT (0.52) KDM4EMAPTMAPK1NPSR1AURKA
SCHEMBL5358500 0.85 KDM4E (0.47) KDM4EMAPTMAPK1NPSR1AURKA
SCHEMBL5361326 0.81 KDM4E (0.46) KDM4EMAPTMAPK1NPSR1AURKA
SCHEMBL5356255 0.79 AURKA (0.52) KDM4EMAPTMAPK1NPSR1AURKA
SCHEMBL5351136 0.71 ALDH1A1 (0.38) KDM4EMAPTMAPK1NPSR1AURKA
SCHEMBL5243269 0.71 PDE10A (0.57) KDM4EALDH1A1PDE10APDE3BPDE3A
SCHEMBL14407966 0.69 MAPT (0.56) KDM4EMAPTMAPK1NPSR1ALDH1A1
SCHEMBL8012169 0.69 PDE5A (0.48) KDM4EMAPTMAPK1NPSR1PDE10A
SCHEMBL5788524 0.68 MAPT (0.35) KDM4EMAPTMAPK1NPSR1AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050182079-A1 Tetrahydroisoquinolinyl derivatives of quinazoline and isoquinoline PFIZER INC 2005-08-18 US claimed
US-7268142-B2 Tetrahydroisoquinolinyl derivatives of quinazoline and isoquinoline PFIZER INC. (US) 2007-09-11 US disclosed
US-20050182079-A1 Tetrahydroisoquinolinyl derivatives of quinazoline and isoquinoline PFIZER INC 2005-08-18 US 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 (1 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-20050182079-A1 Tetrahydroisoquinolinyl derivatives of quinazoline and isoquinoline PDE5A, PDE3A, PDE3B KDM4E 1096/4885MAPT 1417/4885MAPK1 2380/4885

“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.