SCHEMBL25560652

SCHEMBL25560652

Cc1cn(-c2ccc(CN)cn2)cn1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 3/20 0.41
CYP2E1 P05181 1/20 0.41
CYP2A6 P11509 1/20 0.41
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PSEN1 P49768 4/20 0.36
PSEN2 P49810 4/20 0.36
APH1B Q8WW43 4/20 0.36
NCSTN Q92542 4/20 0.36
APH1A Q96BI3 4/20 0.36
PSENEN Q9NZ42 4/20 0.36
KEAP1 Q14145 1/20 0.36
CPB2 Q96IY4 3/20 0.35
SYK P43405 1/20 0.34
AKT2 P31751 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
SCHEMBL24780239 0.85 CYP1A2 (0.42) KCNJ1CYP2E1CYP2A6CYP1A2CYP3A4
SCHEMBL24135102 0.84 EGLN2 (0.44) KCNJ1CYP2E1CYP2A6CYP1A2CYP3A4
SCHEMBL15729562 0.78 CYP3A4 (0.55) CYP2E1CYP2A6CYP1A2CYP3A4CYP2D6
SCHEMBL11962606 0.78 CYP2E1 (0.44) KCNJ1CYP2E1CYP2A6CYP1A2CYP3A4
SCHEMBL6127814 0.78 CYP2E1 (0.46) KCNJ1CYP2E1CYP2A6CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL17091355 0.77 CYP3A4 (0.54) CYP2E1CYP2A6CYP1A2CYP3A4CYP2D6
SCHEMBL28674063 0.75 PSEN1 (0.48) KCNJ1CYP2E1CYP2A6CYP1A2CYP3A4
SCHEMBL22199018 0.75 CYP2E1 (0.44) CYP2E1CYP2A6CYP1A2CYP3A4CYP2D6
SCHEMBL30445326 0.74 KCNJ1 (0.49) KCNJ1CYP2E1CYP2A6CYP1A2CYP3A4
SCHEMBL20168079 0.74 KCNJ1 (0.49) KCNJ1CYP2E1CYP2A6CYP1A2CYP3A4

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-20230159523-A1 PYRAZOLO[1,5-A]PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND COMPOSITION AND USE THEREOF SHENZHEN ZHONGGE BIOLOGICAL TECHNOLOGY CO., LTD. (CN) 2023-05-25 US disclosed
US-20230159523-A1 PYRAZOLO[1,5-A]PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND COMPOSITION AND USE THEREOF SHENZHEN ZHONGGE BIOLOGICAL TECHNOLOGY CO., LTD. (CN) 2023-05-25 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-20230159523-A1 PYRAZOLO[1,5-A]PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND COMPOSITION AND USE THEREOF NCOA4, CCDC47, CCDC6 KCNJ1 2047/4885CYP2E1 4457/4885CYP2A6 2707/4885

“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.