SCHEMBL25801524

SCHEMBL25801524

CCc1cc(Cl)c(C(C)C)cn1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
LMNA P02545 2/20 0.34
TP53 P04637 1/20 0.31
HTT P42858 1/20 0.31
P2RX3 P56373 3/20 0.31
P2RX2 Q9UBL9 3/20 0.31
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
PTGS1 P23219 1/20 0.30
PTGS2 P35354 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
SCHEMBL20642297 0.88 LMNA (0.32) GABRA1GABRB1LMNAP2RX3P2RX2
SCHEMBL10272986 0.80 GAA (0.34) HTTCYP1A2POLBPTGS1PTGS2
SCHEMBL15417381 0.79 NOS3 (0.38) LMNACYP1A2POLB
SCHEMBL20642322 0.78 NOS3 (0.33) CYP1A2POLB
SCHEMBL22448740 0.78 P2RX3 (0.35) P2RX3P2RX2CYP1A2POLB
SCHEMBL20288204 0.77 NOS3 (0.35) CYP1A2POLBPTGS1PTGS2
SCHEMBL20642453 0.76 TLR9 (0.36) P2RX3P2RX2
SCHEMBL25795554 0.76 LMNA (0.36) GABRA1GABRB1LMNACYP1A2POLB
SCHEMBL16502348 0.75 PGK1 (0.37) CYP1A2POLBPTGS1PTGS2
SCHEMBL18353218 0.73 GABRA1 (0.39) GABRA1GABRB1LMNATP53HTT

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 GABRA1 3202/4885GABRB1 3774/4885LMNA 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.