SCHEMBL2430832

SCHEMBL2430832

Cc1cc(Br)ncc1NC(=O)c1cscn1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.43
MAP3K5 Q99683 1/20 0.43
RAB9A P51151 6/20 0.43
NPC1 O15118 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GRM4 Q14833 2/20 0.42
ALDH1A1 P00352 1/20 0.41
GRM1 Q13255 1/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL16866331 0.82 DHODH (0.49) PIM1MAP3K5RAB9ANPC1SMN1; SMN2
SCHEMBL25381987 0.77 MAPT (0.55) PIM1MAP3K5SMN1; SMN2GRM4GRM1
SCHEMBL13626622 0.75 PIM1 (0.59) PIM1RAB9ANPC1SMN1; SMN2GRM4
Ammonia Solution, Strong SCHEMBL27976383 0.74 PIM1 (0.57) PIM1RAB9ANPC1SMN1; SMN2GRM4
SCHEMBL15707353 0.74 GRM4 (0.50) PIM1MAP3K5RAB9ANPC1SMN1; SMN2
SCHEMBL1600717 0.74 NPC1 (0.48) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL29151262 0.73 RAB9A (0.59) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL16866329 0.72 KMT2A (0.64) PIM1RAB9ANPC1SMN1; SMN2GRM4
SCHEMBL2463867 0.71 GRM4 (0.62) PIM1RAB9ANPC1SMN1; SMN2GRM4
SCHEMBL15018247 0.70 NPC1 (0.52) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2086966-B1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2011-09-14 EP disclosed
US-20090274655-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION 2009-11-05 US disclosed
US-20090274655-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION 2009-11-05 US disclosed
US-20090274655-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION 2009-11-05 US disclosed
WO-2008059042-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2008-05-22 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-20090274655-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS EIF2AK2, HAVCR2, GTF3C2 PIM1 2371/4885MAP3K5 4143/4885RAB9A 2071/4885

“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.