SCHEMBL25652147

SCHEMBL25652147

CCc1ccnc(C)c1CSc1ccc(N)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 2/20 0.37
CYP2C9 P11712 1/20 0.37
NOS2 P35228 2/20 0.36
NOS3 P29474 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.33
CYP3A4 P08684 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
POLB P06746 1/20 0.32
DHFR P00374 1/20 0.32
GAA P10253 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CA13 Q8N1Q1 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
SCHEMBL25652165 0.85 KMT2A (0.37) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL25652158 0.83 NOS2 (0.42) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL5655315 0.74 NPC1 (0.40) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL7117691 0.73 NOS2 (0.45) NOS2NOS3POLBDHFR
SCHEMBL21558452 0.73 ALDH1A1 (0.39) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL25652145 0.71 CYP2C9 (0.35) MEN1KMT2AMAPTCYP2C9NOS2
SCHEMBL25652152 0.71 NOS3 (0.39) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL25652149 0.69 KDM4E (0.40) ALDH1A1MEN1KMT2AMAPTNOS2
Hydrochloric Acid SCHEMBL11412747 0.69 NOS2 (0.37) NOS2NOS3
SCHEMBL25652146 0.69 NOS2 (0.37) NOS2NOS3

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 ALDH1A1 165/4885NPC1 508/4885RAB9A 1462/4885

“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.