SCHEMBL6623201

SCHEMBL6623201

COc1ccc(-c2n[nH]nc2-c2nc(C)cs2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
GABRA1 P14867 3/20 0.45
GABRG2 P18507 3/20 0.45
GABRB3 P28472 3/20 0.45
GABRA3 P34903 3/20 0.45
GABRA2 P47869 3/20 0.45
GABRA5 P31644 2/20 0.45
MAPT P10636 4/20 0.43
ALDH1A1 P00352 6/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 4/20 0.43
RAB9A P51151 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
POLB P06746 2/20 0.43
ATM Q13315 1/20 0.43
NPC1 O15118 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL2096148 0.81 MAPT (0.61) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL6622341 0.80 POLB (0.40) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL17584763 0.79 MEN1 (0.59) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL3663194 0.75 MEN1 (0.43) MEN1KMT2AGABRA1GABRG2GABRB3
SCHEMBL28444043 0.73 ALOX15 (0.65) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL28070637 0.73 MEN1 (0.49) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL408607 0.72 TGFBR1 (0.56) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL6796072 0.72 AOC3 (0.38) MAPTALDH1A1KDM4ETDP1LMNA
SCHEMBL17141308 0.72 MEN1 (0.51) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL18385086 0.69 ILK (0.53) KDM4ERAB9ANPC1SMN1; SMN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040266842-A1 Thiazolyl substituted triazoles as alk5 inhibitors GASTER LARAMIE MARY 2004-12-30 US claimed
EP-1444227-A1 THIAZOLYL SUBSTITUTED TRIAZOLES AS ALK5 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-08-11 EP claimed
WO-2003042207-A1 THIAZOLYL SUBSTITUTED TRIAZOLES AS ALK5 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-05-22 WO claimed
US-20040266842-A1 Thiazolyl substituted triazoles as alk5 inhibitors GASTER LARAMIE MARY 2004-12-30 US disclosed
EP-1444227-A1 THIAZOLYL SUBSTITUTED TRIAZOLES AS ALK5 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-08-11 EP disclosed
WO-2003042207-A1 THIAZOLYL SUBSTITUTED TRIAZOLES AS ALK5 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-05-22 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-20040266842-A1 Thiazolyl substituted triazoles as alk5 inhibitors CBR3, CBR1, ALK MEN1 4300/4885KMT2A 3175/4885GABRA1 1824/4885

“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.