SCHEMBL25952937

SCHEMBL25952937

CS(C)(C)C#Cc1cnc2[nH]ncc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 6/20 0.40
MAP3K20 Q9NYL2 1/20 0.38
PIK3C3 Q8NEB9 2/20 0.33
ABL1 P00519 3/20 0.32
PDPK1 O15530 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3R1 P27986 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
MTOR P42345 1/20 0.31
PIK3CG P48736 1/20 0.31
LRRK2 Q5S007 2/20 0.30
FGFR1 P11362 1/20 0.30
CYP2C9 P11712 1/20 0.30
PDGFRA P16234 1/20 0.30
CYP2C19 P33261 1/20 0.30
FLT3 P36888 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
CHEK1 O14757 1/20 0.30
AURKA O14965 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
SCHEMBL1586122 0.73 CYP2C19 (0.42) BRAFMAP3K20PIK3C3ABL1PDPK1
SCHEMBL30726289 0.73 KDM4E (0.41) BRAFPIK3C3LRRK2RETPI4KA
SCHEMBL502852 0.73 PARP1 (0.37) BRAFMAP3K20PIK3C3ABL1PDPK1
SCHEMBL23067643 0.70 BRAF (0.39) BRAFPIK3C3ABL1LRRK2FGFR1
SCHEMBL30904813 0.67 CA12 (0.55) BRAFMAP3K20
SCHEMBL30844187 0.67 NAMPT (0.46) PIK3C3PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL30904799 0.66 CA12 (0.54) BRAFMAP3K20PIK3CDPIK3R1PIK3CA
SCHEMBL2619214 0.66 CCR1 (0.46) PIK3C3PDPK1PIK3CACHEK1
SCHEMBL24340235 0.65 ABL1 (0.52) ABL1LRRK2FGFR1CYP2C9PDGFRA
SCHEMBL1585560 0.65 PTPN11 (0.48) BRAFPIK3C3ABL1LRRK2FGFR1

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-20230271939-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS IP2IPO INNOVATIONS LIMITED (GB) 2023-08-31 US disclosed
US-20230250082-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS IP2IPO INNOVATIONS LIMITED (GB) 2023-08-10 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 (2 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-20230271939-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS EIF2AK4, GCN1, EIF5B BRAF 2826/4885MAP3K20 1276/4885PIK3C3 2472/4885
US-20230250082-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS EIF2AK4, GCN1, EIF5B BRAF 2826/4885MAP3K20 1276/4885PIK3C3 2472/4885

“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.