SCHEMBL3058751

SCHEMBL3058751

[c]1ccc2c(-c3ccccc3)ccnc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 4/20 0.47
AURKB Q96GD4 2/20 0.47
LRRK2 Q5S007 2/20 0.47
CDK5 Q00535 2/20 0.47
IKBKB O14920 1/20 0.47
CHUK O15111 1/20 0.47
DAPK3 O43293 1/20 0.47
JAK2 O60674 1/20 0.47
PRKD3 O94806 1/20 0.47
MAP4K4 O95819 1/20 0.47
PAK4 O96013 1/20 0.47
CSF1R P07333 1/20 0.47
RET P07949 1/20 0.47
IGF1R P08069 1/20 0.47
FGFR1 P11362 1/20 0.47
PRKACA P17612 1/20 0.47
FLT1 P17948 1/20 0.47
LTK P29376 1/20 0.47
GRK5 P34947 1/20 0.47
KDR P35968 1/20 0.47

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
SCHEMBL3974731 0.79 GRM4 (0.49) ACVR1AURKBDYRK1APIK3CATGFBR1
SCHEMBL21295805 0.78 TGFBR1 (0.47) ACVR1AURKBPIK3CATGFBR1MAPK14
SCHEMBL30439957 0.77 TGFBR1 (0.60) ACVR1AURKBLRRK2CDK5IKBKB
SCHEMBL35327 0.77 TGFBR1 (0.60) ACVR1AURKBLRRK2CDK5IKBKB
SCHEMBL12074333 0.74 PIK3CA (0.65) ACVR1AURKBLRRK2CDK5IKBKB
SCHEMBL10875137 0.73 TOP2A (0.42) ACVR1AURKBLRRK2CDK5IKBKB
Formaldehyde SCHEMBL27672857 0.73 TGFBR1 (0.55) ACVR1AURKBLRRK2CDK5IKBKB
SCHEMBL695233 0.72 ADORA2A (0.62) JAK2MAP4K4PIK3CAGRM4MEN1
SCHEMBL28084614 0.71 PIK3CA (0.66) ACVR1AURKBLRRK2CDK5IKBKB
SCHEMBL15515318 0.71 CCR1 (0.43) ALDH1A1L3MBTL1

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-8242150-B2 Triazole derivatives for treating alzheimer'S disease and related conditions MERCK SHARP & DOHME CORP. (US) 2012-08-14 US disclosed
US-20100222320-A1 TRIAZOLE DERIVATIVES FOR TREATING ALZHEIMER'S DISEASE AND RELATED CONDITIONS SCHERING CORPORATION 2010-09-02 US disclosed
EP-2166854-A1 TRIAZOLE DERIVATIVES FOR TREATING ALZHEIMER'S DISEASE AND RELATED CONDITIONS Merck Sharp & Dohme Corp. (US) 2010-03-31 EP disclosed
WO-2008156580-A1 TRIAZOLE DERIVATIVES FOR TREATING ALZHEIMER'S DISEASE AND RELATED CONDITIONS MERCK & CO., INC. (US) 2008-12-24 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-20100222320-A1 TRIAZOLE DERIVATIVES FOR TREATING ALZHEIMER'S DISEASE AND RELATED CONDITIONS BACE1, PSEN1, PSEN2 ACVR1 4163/4885AURKB 2515/4885LRRK2 529/4885

“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.