SCHEMBL18858475

SCHEMBL18858475

CCCc1c[nH]c2cnccc12

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.53
DYRK1A Q13627 7/20 0.49
GSK3B P49841 3/20 0.49
NFATC1 O95644 3/20 0.49
GPR84 Q9NQS5 1/20 0.46
HTR2A P28223 2/20 0.44
CDK2 P24941 2/20 0.43
DYRK1B Q9Y463 2/20 0.43
PDPK1 O15530 1/20 0.43
TGFBR1 P36897 1/20 0.43
IKBKE Q14164 1/20 0.43
KRAS P01116 1/20 0.43
HASPIN Q8TF76 1/20 0.41
IGF1R P08069 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
HTR1A P08908 1/20 0.41

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
SCHEMBL25028296 0.86 HTR2A (0.64) HTR6DYRK1AGSK3BNFATC1HTR2A
SCHEMBL3221770 0.86 DYRK1A (0.51) HTR6DYRK1AGSK3BNFATC1GPR84
SCHEMBL25030294 0.83 HTR6 (0.61) HTR6DYRK1AGSK3BNFATC1HTR2A
SCHEMBL3899319 0.83 HTR6 (0.76) HTR6DYRK1AGSK3BNFATC1HTR2A
SCHEMBL31036068 0.83 HTR6 (0.76) HTR6DYRK1AGSK3BNFATC1HTR2A
SCHEMBL3924792 0.83 GSK3B (0.53) HTR6DYRK1AGSK3BNFATC1GPR84
SCHEMBL17341178 0.82 HTR6 (0.44) HTR6DYRK1AGSK3BNFATC1GPR84
SCHEMBL25029930 0.82 HTR2A (0.62) HTR6DYRK1AGSK3BNFATC1GPR84
SCHEMBL25030259 0.82 HTR6 (0.78) HTR6HTR2AHTR1A
SCHEMBL14021920 0.82 HTR6 (0.49) HTR6DYRK1AGSK3BNFATC1GPR84

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
US-9708323-B2 Tricyclic compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2017-07-18 US disclosed
US-20170137425-A1 TRICYCLIC COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2017-05-18 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-20170137425-A1 TRICYCLIC COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA6, CHRNA5 HTR6 93/4885DYRK1A 3018/4885GSK3B 1605/4885

“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.