SCHEMBL25801828

SCHEMBL25801828

CSC1(C(C)C)Cc2ccccc2[C@H]1N

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.39
PRCP P42785 1/20 0.33
PTPN11 Q06124 2/20 0.33
SIGMAR1 Q99720 4/20 0.33
ANPEP P15144 1/20 0.33
KDM1A O60341 4/20 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
SCHEMBL22393599 0.77 HTR2A (0.42) HTR2APRCPSIGMAR1ANPEPKDM1A
SCHEMBL21887274 0.76 HTR2A (0.41) HTR2APRCPSIGMAR1ANPEPKDM1A
SCHEMBL25803231 0.75 PTPN11 (0.36) PTPN11
SCHEMBL22393733 0.72 HTR2A (0.38) HTR2APRCPKDM1A
SCHEMBL2793129 0.71 HTR2A (0.43) HTR2ASIGMAR1ANPEPKDM1A
SCHEMBL21845156 0.71 HTR2A (0.43) HTR2ASIGMAR1ANPEPKDM1A
SCHEMBL24389159 0.69 HTR2A (0.38) HTR2ASIGMAR1KDM1A
SCHEMBL24388765 0.68 HTR2A (0.41) HTR2ASIGMAR1ANPEPKDM1A
SCHEMBL23811378 0.68 HTR2A (0.41) HTR2ASIGMAR1ANPEPKDM1A
SCHEMBL27761866 0.67 HTR2A (0.43) HTR2AANPEPKDM1A

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-20230212180-A1 SUBSTITUTED PYRAZINE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-07-06 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-20230212180-A1 SUBSTITUTED PYRAZINE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF PTPN5, PTPN1, PTPN2 HTR2A 2901/4885PRCP 489/4885PTPN11 5/4885

“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.