SCHEMBL2396781

SCHEMBL2396781

Cc1cnc(NC(N)=S)s1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.50
NPC1 O15118 10/20 0.50
SMN1; SMN2 Q16637 7/20 0.50
PKM P14618 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPT P10636 2/20 0.48
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
FDPS P14324 1/20 0.45
LMNA P02545 1/20 0.44

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
Iodide SCHEMBL8199531 0.77 SMN1; SMN2 (0.50) RAB9ANPC1SMN1; SMN2PKMMEN1
SCHEMBL2175131 0.74 RAB9A (0.60) RAB9ANPC1SMN1; SMN2PKMMEN1
SCHEMBL6474925 0.73 RAB9A (0.58) RAB9ANPC1SMN1; SMN2PKMMEN1
SCHEMBL6302207 0.73 RAB9A (0.60) RAB9ANPC1SMN1; SMN2PKMMEN1
SCHEMBL15899115 0.73
SCHEMBL13401787 0.72 RAB9A (0.60) RAB9ANPC1SMN1; SMN2PKMMEN1
SCHEMBL15943684 0.72 RAB9A (0.57) RAB9ANPC1SMN1; SMN2PKMMEN1
SCHEMBL3040422 0.72 RAB9A (0.57) RAB9ANPC1SMN1; SMN2PKMMEN1
SCHEMBL7874773 0.71 RAB9A (0.49) RAB9ANPC1SMN1; SMN2PKMMEN1
SCHEMBL6361249 0.70 SMN1; SMN2 (0.61) RAB9ANPC1SMN1; SMN2PKMMEN1

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
US-8017608-B2 5-Phenylthiazole derivatives and their use as p13 kinase inhibitors NOVARTIS AG (CH) 2011-09-13 US disclosed
EP-1608647-B1 5-PHENYLTHIAZOLE DERIVATIVES AND THEIR USE AS P13 KINASE INHIBITORS NOVARTIS AG (CH) 2008-01-09 EP disclosed
US-20060148822-A1 5-Phenylthiazole derivatives and their use as p13 kinase inhibitors NOVARTIS AG (CH) 2006-07-06 US disclosed
EP-1608647-A1 5-PHENYLTHIAZOLE DERIVATIVES AND THEIR USE AS P13 KINASE INHIBITORS Novartis AG (CH) 2005-12-28 EP disclosed
WO-2004078754-A1 5-PHENYLTHIAZOLE DERIVATIVES AND THEIR USE AS P13 KINASE INHIBITORS NOVARTIS AG (CH) 2004-09-16 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-20060148822-A1 5-Phenylthiazole derivatives and their use as p13 kinase inhibitors MAP3K13, AKT3, MAP3K3 RAB9A 1020/4885NPC1 2499/4885SMN1; SMN2 3200/4885

“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.