SCHEMBL25950813

SCHEMBL25950813

Cc1cnc(O)c(C(C)(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
CA2 P00918 4/20 0.52
TYR P14679 2/20 0.52
POLB P06746 1/20 0.52
HSPA5 P11021 1/20 0.42
CYP2C9 P11712 4/20 0.41
CYP2C19 P33261 3/20 0.41
HIF1A Q16665 3/20 0.41
ALOX15 P16050 4/20 0.41
CYP1A2 P05177 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
ATP2A2 P16615 1/20 0.41
ATP2A3 Q93084 1/20 0.41
CA1 P00915 2/20 0.38
HSD17B10 Q99714 2/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 2/20 0.37
TDP1 Q9NUW8 2/20 0.37

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
SCHEMBL13245781 0.81 PDK2 (0.36) ALDH1A1SMN1; SMN2CA2TYRPOLB
SCHEMBL7749594 0.78 HSP90AA1 (0.42) ALDH1A1SMN1; SMN2CA2TYRPOLB
SCHEMBL16080758 0.77 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2CA2TYRPOLB
SCHEMBL14586459 0.77 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2CA2TYRPOLB
SCHEMBL16302764 0.76 SMN1; SMN2 (0.43) ALDH1A1SMN1; SMN2CA2TYRPOLB
SCHEMBL11955167 0.74 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2CA2TYRPOLB
SCHEMBL16941398 0.74 NOS3 (0.56) ALDH1A1SMN1; SMN2CA2TYRPOLB
SCHEMBL15218366 0.74 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2CA2TYRPOLB
SCHEMBL21718455 0.74 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2CA2TYRPOLB
SCHEMBL20843996 0.74 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2CA2TYRPOLB

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 ALDH1A1 2504/4885SMN1; SMN2 2267/4885CA2 3057/4885
US-20230250082-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS EIF2AK4, GCN1, EIF5B ALDH1A1 2504/4885SMN1; SMN2 2267/4885CA2 3057/4885

“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.