SCHEMBL24375384

SCHEMBL24375384

CC(C)(C)C1(C(C)(C)C)Cc2cccnc2C1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
NAMPT P43490 3/20 0.32
AVPR1A P37288 1/20 0.31

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
SCHEMBL23386192 0.81 DRD2 (0.31) DRD2DRD3AVPR1A
SCHEMBL11418047 0.76 CYP11B2 (0.38) DRD2DRD3AVPR1A
SCHEMBL23811488 0.73 DRD2 (0.33) DRD2DRD3AVPR1A
SCHEMBL23509314 0.71 GRIN2D (0.41) AVPR1A
SCHEMBL26428055 0.70 PDK2 (0.35) DRD2DRD3NAMPTAVPR1A
SCHEMBL24677864 0.70 DRD2 (0.37) DRD2DRD3AVPR1A
SCHEMBL24112694 0.69 NAMPT (0.32) DRD2DRD3NAMPT
SCHEMBL22958207 0.68 TSHR (0.36) DRD2DRD3AVPR1A
SCHEMBL21142424 0.68 NPC1 (0.37) DRD2DRD3NAMPT
SCHEMBL25070433 0.68 CHRNB2 (0.43)

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-20220127271-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC SHP2 INHIBITOR COMPOUND, PREPARATION METHOD, AND USE SHANGHAI RINGENE BIOPHARMA CO., LTD. (CN) 2022-04-28 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-20220127271-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC SHP2 INHIBITOR COMPOUND, PREPARATION METHOD, AND USE PTPN1, PTPN7, PTPN9 DRD2 4750/4885DRD3 4789/4885NAMPT 392/4885

“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.