SCHEMBL11949648

SCHEMBL11949648

O=C(Nn1cnnc1)C1CCC(Cn2cnc3ccccc3c2=O)CC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.58
▸ HTT P42858 2/20 0.54
▸ KDM4E B2RXH2 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ HSD17B13 Q7Z5P4 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ GAA P10253 3/20 0.43
▸ POLB P06746 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ ATM Q13315 1/20 0.42

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
SCHEMBL11949735 0.83 SMN1; SMN2 (0.54) MAPTHTTKDM4ESMN1; SMN2TSHR
SCHEMBL11949642 0.83 MAPT (0.53) MAPTHTTKDM4ESMN1; SMN2HSD17B13
SCHEMBL11949645 0.82 MAPT (0.52) MAPTHTTKDM4ESMN1; SMN2TSHR
SCHEMBL11949736 0.81 MAPT (0.53) MAPTHTTSMN1; SMN2TSHRGAA
SCHEMBL11949643 0.81 MAPT (0.51) MAPTHTTSMN1; SMN2GAAPOLB
SCHEMBL11949649 0.80 GCK (0.56) MAPTHTTKDM4ESMN1; SMN2TSHR
SCHEMBL11949639 0.79 RAB9A (0.50) MAPTHTTSMN1; SMN2HSD17B13TSHR
SCHEMBL11949637 0.79 KDM4E (0.66) MAPTHTTKDM4ESMN1; SMN2GAA
SCHEMBL11949657 0.78 MAPT (0.50) MAPTHTTSMN1; SMN2TSHRGAA
SCHEMBL11949653 0.78 MAPT (0.50) MAPTHTTKDM4ESMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8865704-B2 Wnt pathway antagonists SIENA BIOTECH S.P.A. (IT) 2014-10-21 — — US disclosed
US-8865704-B2 Wnt pathway antagonists SIENA BIOTECH S.P.A. (IT) 2014-10-21 — — US disclosed
US-20120196851-A1 WNT PATHWAY ANTAGONISTS SIENA BIOTECH S.P.A. (IT) 2012-08-02 — — US disclosed
US-20120196851-A1 WNT PATHWAY ANTAGONISTS SIENA BIOTECH S.P.A. (IT) 2012-08-02 — — 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-20120196851-A1 WNT PATHWAY ANTAGONISTS WNT1, WNT3A, CTNNB1 MAPT 4418/4885HTT 4853/4885KDM4E 3425/4885

“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.

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