SCHEMBL22049415

SCHEMBL22049415

N#COc1c[nH]c2ccncc12

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.44
CCNT1 O60563 1/20 0.40
CDK9 P50750 1/20 0.40
HASPIN Q8TF76 1/20 0.40
DYRK1A Q13627 8/20 0.38
KIF20A O95235 5/20 0.38
GSK3B P49841 4/20 0.37
NFATC1 O95644 2/20 0.37
KDR P35968 1/20 0.36
FLT3 P36888 1/20 0.36
ACHE P22303 1/20 0.36
PDE10A Q9Y233 2/20 0.35
CLK1 P49759 3/20 0.34
GPR84 Q9NQS5 1/20 0.34

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
SCHEMBL22049454 0.87 DYRK1A (0.47) CCNT1CDK9HASPINDYRK1AGSK3B
SCHEMBL15667411 0.74 CCNT1 (0.62) HTR6CCNT1CDK9HASPINDYRK1A
Hydrochloric Acid SCHEMBL3967649 0.72 CCNT1 (0.60) HTR6CCNT1CDK9HASPINDYRK1A
SCHEMBL22050222 0.71 CLK1 (0.30) CCNT1CDK9HASPINCLK1
SCHEMBL3898333 0.70 HTR6 (0.59) HTR6CCNT1CDK9HASPINDYRK1A
SCHEMBL22049684 0.69 TDO2 (0.39) DYRK1AKIF20ACLK1
SCHEMBL27569767 0.69 CCNT1 (0.52) HTR6CCNT1CDK9HASPINPDE10A
SCHEMBL31037775 0.68 HTR6 (0.46) HTR6HASPINGSK3BKDRFLT3
SCHEMBL22049700 0.68 ACHE (0.44) HTR6ACHEPDE10A
SCHEMBL2050489 0.67 HASPIN (0.59) HTR6CCNT1CDK9HASPINDYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200172534-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2020-06-04 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-20200172534-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 HTR6 469/4885CCNT1 4829/4885CDK9 2294/4885

“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.