SCHEMBL25652156

SCHEMBL25652156

Cc1ccnc(C)c1C[S+]([O-])c1ccc(N)cc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 4/20 0.40
NOS3 P29474 3/20 0.40
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
AURKA O14965 1/20 0.30
DHFR P00374 1/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 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
SCHEMBL25652145 0.84 CYP2C9 (0.35) NOS2NOS3MAPTCYP2C9AURKA
SCHEMBL21558448 0.73 SIRT3 (0.36) MAPTCYP2C9LMNATSHR
SCHEMBL25652164 0.72 MAPT (0.33) NOS2NOS3MAPTCYP2C9
SCHEMBL25652158 0.69 NOS2 (0.42) NOS2NOS3MAPTCYP2C9DHFR
SCHEMBL25652159 0.69 UHRF1 (0.40) NOS2NOS3
SCHEMBL18868429 0.67 CYP3A4 (0.44) MAPTCYP2C9LMNATSHR
SCHEMBL3294193 0.67 NOS2 (0.50) NOS2NOS3CYP2C9LMNA
SCHEMBL21558314 0.67 ADORA2A (0.34)
SCHEMBL21558316 0.67 ADORA2A (0.34)
SCHEMBL21558287 0.67 ADORA2A (0.34)

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 NOS2 1505/4885NOS3 1523/4885MAPT 2543/4885

“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.