SCHEMBL5564416

SCHEMBL5564416

COc1ccc(-c2cc3nccc(Cl)n3n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.61
ALDH1A1 P00352 6/20 0.52
RAB9A P51151 5/20 0.52
NPC1 O15118 5/20 0.52
KDM4E B2RXH2 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
HPGD P15428 3/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ATM Q13315 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
STAT1 P42224 1/20 0.51
PDE4D Q08499 3/20 0.51
PKM P14618 1/20 0.50
CDK5 Q00535 1/20 0.50
CDK5R1 Q15078 1/20 0.50
GAA P10253 1/20 0.50
AURKA O14965 1/20 0.46
DYRK1A Q13627 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL31091478 0.82 MAPT (0.61) MAPTALDH1A1RAB9ANPC1KDM4E
SCHEMBL13815604 0.79 ALDH1A1 (0.59) MAPTALDH1A1RAB9ANPC1KDM4E
SCHEMBL31560180 0.77 KDM4E (0.54) MAPTALDH1A1RAB9ANPC1KDM4E
SCHEMBL6107645 0.77 ALDH1A1 (0.49) MAPTALDH1A1RAB9ANPC1KDM4E
SCHEMBL31131887 0.74 FYN (0.48) MAPTPDE4DAURKADYRK1A
SCHEMBL31131880 0.74 FYN (0.48) MAPTPDE4DAURKADYRK1A
SCHEMBL5569010 0.74 PDE4D (0.57) MAPTALDH1A1RAB9ANPC1KDM4E
SCHEMBL14557169 0.74 RAB9A (0.59) MAPTALDH1A1RAB9ANPC1KDM4E
SCHEMBL13896777 0.72 RAB9A (0.74) MAPTALDH1A1RAB9ANPC1KDM4E
SCHEMBL31560183 0.72 ALDH1A1 (0.49) MAPTALDH1A1RAB9ANPC1KDM4E

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
CN-118598875-A Pyrimidine diketone amide compound and preparation method and application thereof 广州医科大学 2024-09-06 CN disclosed
EP-1504004-B1 SUBSTITUTED PYRAZOLOPYRIMIDINES SMITHKLINE BEECHAM CORP (US) 2007-06-27 EP disclosed
US-20050203106-A1 Therapeutic compounds SMITHKLINE BEECHAM CORPORATION 2005-09-15 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-20050203106-A1 Therapeutic compounds ABCB1, PCSK9, ABCB11 MAPT 696/4885ALDH1A1 224/4885RAB9A 1242/4885

“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.