SCHEMBL27115227

SCHEMBL27115227

CSc1nc(Cl)c2c(n1)C(C)CC2

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 2/20 0.45
▸ HTR2C P28335 2/20 0.45
▸ HTR2B P41595 2/20 0.45
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HRH2 P25021 2/20 0.32
▸ HRH3 Q9Y5N1 2/20 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
SCHEMBL24698805 0.79 CYP1A2 (0.34) HTR2AHTR2CHTR2BCYP1A2CYP2C19
SCHEMBL24373469 0.68 HRH3 (0.46) HRH2HRH3
SCHEMBL24697559 0.68 HTR2A (0.35) HTR2AHTR2CHTR2BCYP1A2CYP2C19
SCHEMBL856157 0.67 CYP1A2 (0.44) HTR2AHTR2CHTR2BCYP1A2CYP2C19
SCHEMBL25403539 0.66 PDE10A (0.39) HTR2AHTR2CHTR2BCYP1A2CYP2C19
SCHEMBL857098 0.66 KMT2A (0.46) HTR2AHTR2CHTR2BCYP1A2CYP2C19
SCHEMBL23960180 0.66 HRH2 (0.34) HRH2HRH3
SCHEMBL22282198 0.65 HRH3 (0.38) HRH2HRH3
SCHEMBL16637692 0.64 HTR2A (0.38) HTR2AHTR2CHTR2BCYP1A2CYP2C19
SCHEMBL4899939 0.64 HTR2A (0.38) HTR2AHTR2CHTR2BCYP1A2CYP2C19

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-20240067633-A1 KETOHEXOKINASE INHIBITOR AND USE THEREOF XIZANG HAISCO PHARMACEUTICAL CO., LTD. (CN) 2024-02-29 — — US disclosed
US-20240067633-A1 KETOHEXOKINASE INHIBITOR AND USE THEREOF XIZANG HAISCO PHARMACEUTICAL CO., LTD. (CN) 2024-02-29 — — 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-20240067633-A1 KETOHEXOKINASE INHIBITOR AND USE THEREOF KHK, GCK, HK1 HTR2A 3764/4885HTR2C 2955/4885HTR2B 2905/4885

“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.

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