SCHEMBL22049447

SCHEMBL22049447

Cc1cnc2[nH]cc(OC#N)c2c1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 5/20 0.36
CYP2C19 P33261 4/20 0.36
KIT P10721 6/20 0.36
CYP3A4 P08684 6/20 0.35
AAK1 Q2M2I8 2/20 0.34
DYRK1A Q13627 1/20 0.33
KDR P35968 1/20 0.32
FLT3 P36888 1/20 0.32
AURKC Q9UQB9 1/20 0.32

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
SCHEMBL22050653 0.81 JAK2 (0.47) CYP2C9CYP2C19KITCYP3A4AAK1
SCHEMBL24565966 0.80 KIT (0.48) CYP2C9CYP2C19KITCYP3A4AAK1
SCHEMBL13199611 0.76 LRRK2 (0.51) AAK1
SCHEMBL27920535 0.74 SLC22A6 (0.45) CYP2C9CYP2C19KITCYP3A4AAK1
SCHEMBL7921128 0.72 MET (0.46) CYP2C9CYP2C19CYP3A4
SCHEMBL25839066 0.72 KIT (0.41) CYP2C9CYP2C19KITCYP3A4AAK1
SCHEMBL22049684 0.70 TDO2 (0.39) DYRK1A
SCHEMBL1045946 0.69 BRD4 (0.54) CYP2C9CYP2C19KITCYP3A4DYRK1A
SCHEMBL21902710 0.69 CYP2C19 (0.40) CYP2C9CYP2C19CYP3A4DYRK1A
SCHEMBL15154998 0.69 GSK3B (0.56) CYP2C9CYP2C19KITCYP3A4

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 CYP2C9 4838/4885CYP2C19 4839/4885KIT 1403/4885

“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.