SCHEMBL24152319

SCHEMBL24152319

CCCCC(CC)COC(=O)CCSc1ccnc(N2CC(C(C)(C)C#N)C2)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.37
▸ TSHR P16473 3/20 0.37
▸ ATM Q13315 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ ALDH1A1 P00352 5/20 0.37
▸ MAPK1 P28482 3/20 0.37
▸ LMNA P02545 3/20 0.34
▸ CA2 P00918 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ THRB P10828 1/20 0.31
▸ RECQL P46063 1/20 0.30
▸ PRSS1 P07477 1/20 0.30
▸ PRSS2 P07478 1/20 0.30
▸ PRSS3 P35030 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
SCHEMBL24151085 0.91 CYP3A4 (0.40) CYP3A4TSHRATMTDP1ALDH1A1
SCHEMBL21154775 0.89 CYP3A4 (0.40) CYP3A4TSHRATMTDP1ALDH1A1
SCHEMBL24151004 0.88 CYP3A4 (0.39) CYP3A4TSHRATMTDP1ALDH1A1
SCHEMBL28775247 0.87 CYP3A4 (0.42) CYP3A4TSHRATMTDP1ALDH1A1
SCHEMBL24151881 0.86 CYP3A4 (0.42) CYP3A4TSHRATMTDP1ALDH1A1
SCHEMBL24152572 0.85 CYP3A4 (0.40) CYP3A4TSHRATMTDP1ALDH1A1
SCHEMBL24151046 0.85 CYP3A4 (0.40) CYP3A4TSHRATMTDP1ALDH1A1
SCHEMBL23902147 0.84 CYP3A4 (0.43) CYP3A4TSHRATMTDP1ALDH1A1
SCHEMBL24152339 0.84 CYP3A4 (0.40) CYP3A4TSHRATMTDP1ALDH1A1
SCHEMBL24152603 0.83 CYP3A4 (0.36) CYP3A4TSHRATMTDP1ALDH1A1

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 4 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
EP-4169913-A1 SUBSTITUTED PYRAZINE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2023-04-26 — — EP disclosed
WO-2021259077-A1 SUBSTITUTED PYRAZINE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2021-12-30 — — WO 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 2812/4885ATM 1279/4885

“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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