SCHEMBL26856993

SCHEMBL26856993

Nc1nc2ccc(-c3csc(C(=O)NCC4CCCCO4)c3)cn2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 5/20 0.44
▸ RAB9A P51151 9/20 0.42
▸ NPC1 O15118 4/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ PKM P14618 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ TP53 P04637 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ PIK3CA P42336 1/20 0.40
▸ PIK3CG P48736 1/20 0.40
▸ MMP12 P39900 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ MAPT P10636 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
SCHEMBL26856936 0.97 HPGD (0.47) HPGDRAB9ANPC1ALDH1A1KDM4E
SCHEMBL26856995 0.89 MMP12 (0.40) KDM4EPIK3CAPIK3CGMMP12
SCHEMBL26856937 0.87 PIK3CG (0.48) HPGDRAB9ANPC1ALDH1A1KDM4E
SCHEMBL26856930 0.87 PIK3CG (0.47) HPGDRAB9ANPC1ALDH1A1KDM4E
SCHEMBL26857005 0.86 ACKR3 (0.42) HPGDALDH1A1KDM4EPKMMAPK1
SCHEMBL26856933 0.85 PIK3CA (0.46) MAPK1PIK3CAPIK3CGMMP12
SCHEMBL26856958 0.84 PIK3CA (0.42) PIK3CAPIK3CGMMP12
SCHEMBL26856997 0.84 MAPK8 (0.44) PIK3CAPIK3CGMMP12
SCHEMBL26857063 0.83 MALT1 (0.43) HPGDALDH1A1KDM4EMAPK1HSD17B10
SCHEMBL26856887 0.81 PIK3CG (0.41) HPGDRAB9ANPC1ALDH1A1MAPK1

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-20230382904-A1 SUBSTITUTED 4-([1,2,4]TRIAZOLO[1,5-a]PYRIDIN-6-YL)THIOPHENE-2-CARBOXAMIDE DERIVATIVES AND USE THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2023-11-30 — — US disclosed
US-20230382904-A1 SUBSTITUTED 4-([1,2,4]TRIAZOLO[1,5-a]PYRIDIN-6-YL)THIOPHENE-2-CARBOXAMIDE DERIVATIVES AND USE THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2023-11-30 — — 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-20230382904-A1 SUBSTITUTED 4-([1,2,4]TRIAZOLO[1,5-a]PYRIDIN-6-YL)THIOPHENE-2-CARBOXAMIDE DERIVATIVES AND USE THEREOF SNCA, PSEN2, PARK7 HPGD 2893/4885RAB9A 2286/4885NPC1 711/4885

“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.

Send feedback