SCHEMBL5569010

SCHEMBL5569010

COc1ccc(-c2cc3nccc(NC4CCCC4)n3n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 5/20 0.57
MAPT P10636 5/20 0.47
CCNT1 O60563 1/20 0.47
CDK9 P50750 1/20 0.47
ALDH1A1 P00352 7/20 0.46
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
CSNK2A1 P68400 1/20 0.46
KDM4E B2RXH2 6/20 0.44
HPGD P15428 3/20 0.44
TP53 P04637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
STAT1 P42224 1/20 0.44
PIM1 P11309 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
GAA P10253 3/20 0.43
GLA P06280 2/20 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
SCHEMBL5564496 0.77 MEN1 (0.42) PDE4DMAPTCCNT1CDK9ALDH1A1
SCHEMBL31560182 0.77 CDK9 (0.76) CCNT1CDK9CSNK2A1
SCHEMBL31560185 0.76 CDK9 (0.74) CCNT1CDK9RAB9ANPC1CSNK2A1
SCHEMBL5564752 0.74 EIF2AK2 (0.52) CSNK2A1MEN1KMT2AATM
SCHEMBL31560180 0.74 KDM4E (0.54) PDE4DMAPTALDH1A1RAB9ANPC1
SCHEMBL5564416 0.74 MAPT (0.61) PDE4DMAPTALDH1A1RAB9ANPC1
SCHEMBL31091478 0.74 MAPT (0.61) PDE4DMAPTALDH1A1RAB9ANPC1
SCHEMBL31560183 0.74 ALDH1A1 (0.49) PDE4DMAPTALDH1A1RAB9ANPC1
SCHEMBL5563977 0.73 MAPK10 (0.45) ALDH1A1KDM4EL3MBTL1PIM1MEN1
SCHEMBL1034547 0.73 EIF2AK2 (0.58) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PDE4D 723/4885MAPT 696/4885CCNT1 1011/4885

“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.