SCHEMBL25950641

SCHEMBL25950641

CC(C)(C)c1cnc(NCC2CCCCO2)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
MAPK1 P28482 5/20 0.46
HPGD P15428 4/20 0.46
KCNH3 Q9ULD8 2/20 0.44
HCAR3 P49019 1/20 0.41
LMNA P02545 3/20 0.41
ALOX12 P18054 1/20 0.41
TNK2 Q07912 3/20 0.41
POLB P06746 1/20 0.40
KDM4E B2RXH2 4/20 0.40
TSHR P16473 2/20 0.40
HSD17B10 Q99714 2/20 0.40
BRAF P15056 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
IGF1R P08069 1/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
NPC1 O15118 1/20 0.39

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
SCHEMBL12459209 0.96 ALDH1A1 (0.51) ALDH1A1MAPK1HPGDKCNH3HCAR3
SCHEMBL12523516 0.81 ALDH1A1 (0.55) ALDH1A1MAPK1HPGDKCNH3HCAR3
SCHEMBL25951848 0.81 ALDH1A1 (0.47) ALDH1A1MAPK1HPGDKCNH3HCAR3
SCHEMBL22681015 0.77 ALDH1A1 (0.51) ALDH1A1HPGDKCNH3LMNAALOX12
SCHEMBL22752683 0.76 ALDH1A1 (0.51) ALDH1A1MAPK1HPGDKCNH3HCAR3
SCHEMBL14667083 0.76 GRIN2B (0.43)
SCHEMBL24104383 0.75 KCNH3 (0.45) MAPK1KCNH3CYP1A2CYP2C19
SCHEMBL30181846 0.75 ALDH1A1 (0.52) ALDH1A1MAPK1HPGDKCNH3HCAR3
SCHEMBL29952698 0.74 ALDH1A1 (0.52) ALDH1A1MAPK1HPGDKCNH3HCAR3
SCHEMBL2571027 0.74 KCNH3 (0.58) ALDH1A1MAPK1HPGDKCNH3HCAR3

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 3 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-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 2504/4885MAPK1 2324/4885HPGD 681/4885
US-20230250082-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS EIF2AK4, GCN1, EIF5B ALDH1A1 2504/4885MAPK1 2324/4885HPGD 681/4885

“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.