SCHEMBL25801904

SCHEMBL25801904

CC(C)C1(C(C)C)[C@H](N)c2ccccc2N1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.34
GPR3 P46089 1/20 0.34
LMNA P02545 3/20 0.33
ALDH1A1 P00352 2/20 0.33
AADAT Q8N5Z0 1/20 0.33
GAA P10253 1/20 0.33
PAX8 Q06710 1/20 0.33
MCL1 Q07820 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 1/20 0.32
HDAC4 P56524 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 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
SCHEMBL24150930 0.79 LMNA (0.41) HTR2AGPR3LMNAALDH1A1AADAT
SCHEMBL6653813 0.69 AADAT (0.35) HTR2AGPR3LMNAALDH1A1AADAT
SCHEMBL29604365 0.66 PTPN11 (0.38) USP2CYP2D6TSHRCYP2C19HTR3E
Hydrochloric Acid SCHEMBL30486609 0.65 PTPN11 (0.37) LMNAMEN1USP2TP53CYP3A4
Hydrochloric Acid SCHEMBL25346441 0.65 PTPN11 (0.37) LMNAMEN1USP2TP53CYP3A4
Hydrochloric Acid SCHEMBL25432011 0.65 PTPN11 (0.37) LMNAMEN1USP2TP53CYP3A4
SCHEMBL3757060 0.65 GAA (0.46) LMNAALDH1A1GAAPAX8MCL1
SCHEMBL17187194 0.63 HDAC4 (0.48) HTR2AGPR3AADATL3MBTL1SLC6A4
Iodide SCHEMBL29133261 0.61 GAA (0.39) GPR3LMNAALDH1A1GAAPAX8
SCHEMBL6321054 0.60 GPR3 (0.42) HTR2AGPR3LMNAALDH1A1AADAT

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 2901/4885GPR3 2472/4885LMNA 4867/4885

“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.