SCHEMBL25652145

SCHEMBL25652145

CCc1ccnc(C)c1C[S+]([O-])c1ccc(N)cc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.35
MAPT P10636 1/20 0.35
NOS3 P29474 1/20 0.34
NOS2 P35228 1/20 0.34
GAA P10253 1/20 0.33
TSHR P16473 2/20 0.31
AURKA O14965 1/20 0.31
DHFR P00374 1/20 0.31
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.30
EDNRB P24530 1/20 0.30
EDNRA P25101 1/20 0.30
CYP2C19 P33261 1/20 0.30
ADRA1A P35348 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL25652164 0.86 MAPT (0.33) CYP2C9MAPTNOS3NOS2
SCHEMBL25652156 0.84 NOS2 (0.40) CYP2C9MAPTNOS3NOS2TSHR
SCHEMBL21558451 0.74 CYP2D6 (0.36) CYP2C9MAPTGAATSHRLMNA
SCHEMBL25652151 0.72 NOS3 (0.37) CYP2C9MAPTNOS3NOS2DHFR
SCHEMBL25652147 0.71 ALDH1A1 (0.37) CYP2C9MAPTNOS3NOS2GAA
SCHEMBL7117691 0.71 NOS2 (0.45) NOS3NOS2DHFR
SCHEMBL21558448 0.67 SIRT3 (0.36) CYP2C9MAPTTSHRLMNAMEN1
SCHEMBL21558314 0.67 ADORA2A (0.34)
SCHEMBL21558316 0.67 ADORA2A (0.34)
SCHEMBL21558728 0.67 CYP2E1 (0.39) CYP2C9CYP2C19

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-20230183221-A1 PYRIDINE DERIVATIVE AND APPLICATION THEREOF NICOYA THERAPEUTICS (SHANGHAI) CO., LTD (CN) 2023-06-15 US disclosed
US-20230183221-A1 PYRIDINE DERIVATIVE AND APPLICATION THEREOF NICOYA THERAPEUTICS (SHANGHAI) CO., LTD (CN) 2023-06-15 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-20230183221-A1 PYRIDINE DERIVATIVE AND APPLICATION THEREOF XDH, CYP11B2, DPYD CYP2C9 32/4885MAPT 2543/4885NOS3 1523/4885

“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.