SCHEMBL24224504

SCHEMBL24224504

CCc1nc(C)c2[nH]ncc2n1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.41
▸ PTK2 Q05397 1/20 0.41
▸ MAPT P10636 1/20 0.33
▸ SLC2A1 P11166 1/20 0.32
▸ XDH P47989 1/20 0.31
▸ ADORA2A P29274 1/20 0.30
▸ ADORA1 P30542 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
SCHEMBL24174683 0.77 HTT (0.34) HTTPTK2
SCHEMBL20674123 0.76 HTT (0.47) HTTPTK2MAPTSLC2A1
SCHEMBL24553744 0.73 HTT (0.44) HTTPTK2MAPTSLC2A1
SCHEMBL21958684 0.73 HTT (0.44) HTTPTK2MAPTSLC2A1
SCHEMBL22693062 0.70 HTT (0.41) HTTPTK2MAPTSLC2A1
SCHEMBL16478438 0.70 ADORA2A (0.36) ADORA2AADORA1
SCHEMBL14985864 0.70 HTT (0.42) HTTXDHADORA2AADORA1
SCHEMBL19964519 0.68 HTT (0.52) HTTPTK2MAPTSLC2A1
SCHEMBL22693056 0.67 MAPT (0.37) HTTPTK2MAPTADORA1
SCHEMBL18742150 0.64 TNKS2 (0.50) HTTADORA2AADORA1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220024901-A1 GLP-1R AGONISTS AND USES THEREOF QILU REGOR THERAPEUTICS INC. (CN) 2022-01-27 — — 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-20220024901-A1 GLP-1R AGONISTS AND USES THEREOF GLP1R, GPR119, GIPR HTT 4062/4885PTK2 2557/4885MAPT 3678/4885

“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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