SCHEMBL14665066

SCHEMBL14665066

CCC(O)c1c[nH]c2cnccc12

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 11/20 0.45
GSK3B P49841 4/20 0.45
NFATC1 O95644 6/20 0.45
GPR84 Q9NQS5 2/20 0.41
CDK2 P24941 2/20 0.40
DYRK1B Q9Y463 2/20 0.40
PDPK1 O15530 1/20 0.40
TGFBR1 P36897 1/20 0.40
IKBKE Q14164 1/20 0.40
KDM5A P29375 1/20 0.38
IGF1R P08069 1/20 0.38
PIP4K2A P48426 1/20 0.38
HTR2A P28223 1/20 0.37
FFAR1 O14842 1/20 0.36
MAPT P10636 1/20 0.36
HTR6 P50406 1/20 0.36

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
SCHEMBL19114812 0.83 DYRK1A (0.46) DYRK1AGSK3BNFATC1GPR84CDK2
SCHEMBL12491378 0.82 DYRK1A (0.49) DYRK1AGSK3BNFATC1GPR84CDK2
SCHEMBL2611046 0.78 DYRK1A (0.51) DYRK1AGSK3BNFATC1GPR84CDK2
SCHEMBL14663984 0.78 DYRK1A (0.45) DYRK1AGSK3BNFATC1GPR84CDK2
SCHEMBL17242302 0.77 GPR84 (0.69) GPR84HTR2AFFAR1MAPT
SCHEMBL22430402 0.76 DYRK1A (0.49) DYRK1AGSK3BNFATC1GPR84CDK2
SCHEMBL27898298 0.75 DYRK1A (0.42) DYRK1AGSK3BNFATC1CDK2DYRK1B
SCHEMBL27764322 0.75 DYRK1A (0.42) DYRK1AGSK3BNFATC1CDK2DYRK1B
SCHEMBL4266740 0.74 MAPT (0.48) DYRK1AGSK3BNFATC1GPR84CDK2
SCHEMBL14827561 0.73 DYRK1A (0.46) DYRK1AGSK3BNFATC1GPR84CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735398-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-27 US disclosed
US-20130085147-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 US disclosed
US-8362020-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 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-20130085147-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 DYRK1A 4352/4885GSK3B 1350/4885NFATC1 845/4885

“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.