SCHEMBL25801411

SCHEMBL25801411

CCCCC(CC)COC(=O)CCSc1ccnc(N2CC(C#N)(CO)C2)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.39
▸ TSHR P16473 3/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ ATM Q13315 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.38
▸ MAPK1 P28482 3/20 0.38
▸ LMNA P02545 3/20 0.35
▸ CA2 P00918 1/20 0.34
▸ RECQL P46063 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.32
▸ PRSS1 P07477 1/20 0.32
▸ PRSS2 P07478 1/20 0.32
▸ PRSS3 P35030 1/20 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
SCHEMBL24152316 0.83 CYP3A4 (0.37) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL25396446 0.77 CYP3A4 (0.50) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL24151803 0.71 CYP3A4 (0.40) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL24151928 0.71 CYP3A4 (0.39) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL19774293 0.70 TSHR (0.46) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL2881274 0.70 CYP3A4 (0.59) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL21154775 0.70 CYP3A4 (0.40) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL24152326 0.70 CYP3A4 (0.38) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL19774294 0.70 CYP3A4 (0.46) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL18686872 0.70 CYP3A4 (0.46) CYP3A4TSHRTDP1ATMALDH1A1

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 2 patents. 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
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 CYP3A4 1490/4885TSHR 2812/4885TDP1 2844/4885

“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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