SCHEMBL3202800

SCHEMBL3202800

O=C1Cc2cc(C(=O)NCc3ccccn3)ccc2N1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.57
NPC1 O15118 2/20 0.57
POLB P06746 2/20 0.57
LMNA P02545 1/20 0.57
SMYD3 Q9H7B4 8/20 0.56
ITGB3 P05106 1/20 0.55
ITGAV P06756 1/20 0.55
ITGA2B P08514 1/20 0.55
CHEK1 O14757 1/20 0.55
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 1/20 0.53
HTT P42858 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
NAMPT P43490 2/20 0.52
KMT2A Q03164 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
MEN1 O00255 1/20 0.51
MAPK14 Q16539 1/20 0.51

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
SCHEMBL3193164 0.82 SMYD3 (0.61) RAB9ASMYD3ALDH1A1
SCHEMBL3192788 0.78 SMYD3 (0.57) SMYD3KDM4EALDH1A1HTTNAMPT
SCHEMBL16091160 0.76 SMYD3 (0.60) SMYD3
SCHEMBL3184661 0.76 HTT (0.59) POLBSMYD3HTTNAMPT
SCHEMBL25312245 0.76 SMYD3 (0.52) SMYD3
SCHEMBL25312248 0.76 SMYD3 (0.52) SMYD3
SCHEMBL12431385 0.75 ALDH1A1 (0.55) LMNASMYD3KDM4EALDH1A1L3MBTL1
SCHEMBL16048824 0.75 SMYD3 (0.67) SMYD3
SCHEMBL2231822 0.74 RAB9A (0.60) RAB9ANPC1POLBLMNAKDM4E
SCHEMBL3193145 0.74 SMYD3 (0.71) SMYD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1667990-A2 NEW COMPOUNDS AstraZeneca AB (SE) 2006-06-14 EP claimed
WO-2005027823-A2 3-HETEROCYCLYL-INDOLE DERIVATIVES AS INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3 (GSK-3) ASTRAZENECA AB (SE) 2005-03-31 WO claimed
US-7683067-B2 3-heterocyclyl-indole derivatives as inhibitors of glycogen synthase kinase-3 (GSK-3) ASTRAZENECA AB (SE) 2010-03-23 US disclosed
US-20080275041-A1 3-Heterocyclyl-Indole Derivatives as Inhibitors of Glycogen Synthase Kinase-3 (Gsk-3) ASTRAZENECA AB (SE) 2008-11-06 US disclosed
EP-1667990-A2 NEW COMPOUNDS AstraZeneca AB (SE) 2006-06-14 EP disclosed
WO-2005027823-A2 3-HETEROCYCLYL-INDOLE DERIVATIVES AS INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3 (GSK-3) ASTRAZENECA AB (SE) 2005-03-31 WO 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-20080275041-A1 3-Heterocyclyl-Indole Derivatives as Inhibitors of Glycogen Synthase Kinase-3 (Gsk-3) GSK3B, GSK3A, GSKIP RAB9A 3010/4885NPC1 2093/4885POLB 1893/4885

“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.