SCHEMBL2143799

SCHEMBL2143799

CC(=O)Nc1nc2c(s1)C(=O)[C@H](C(=O)C1CCCO1)CC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 11/20 0.52
ALDH1A1 P00352 9/20 0.52
RAB9A P51151 8/20 0.52
NPC1 O15118 7/20 0.52
TP53 P04637 4/20 0.52
HSD17B10 Q99714 4/20 0.52
MAPT P10636 2/20 0.52
HPGD P15428 2/20 0.43
MAPK1 P28482 1/20 0.42
TSHR P16473 3/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
CLK1 P49759 1/20 0.41
HTT P42858 1/20 0.41
PKM P14618 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
GLS O94925 1/20 0.38

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
SCHEMBL2143880 1.00 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1RAB9ANPC1TP53
SCHEMBL2143873 1.00 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1RAB9ANPC1TP53
SCHEMBL2143795 1.00 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1RAB9ANPC1TP53
SCHEMBL2143793 1.00 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1RAB9ANPC1TP53
SCHEMBL4046327 0.83 NPC1 (0.39) SMN1; SMN2ALDH1A1RAB9ANPC1TP53
SCHEMBL4042563 0.83 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1RAB9ANPC1TP53
SCHEMBL3948651 0.83 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1RAB9ANPC1TP53
SCHEMBL2143829 0.81 MAPT (0.42) SMN1; SMN2ALDH1A1RAB9ANPC1TP53
SCHEMBL13555958 0.81 MAPT (0.37) SMN1; SMN2ALDH1A1RAB9ANPC1TP53
SCHEMBL14817911 0.80 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1RAB9ANPC1TP53

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-1802636-B1 PI3 KINASES INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2013-03-27 EP disclosed
US-8232286-B2 N-[1-(3-dimethylamino-4-formyl-phenyl)-3-pyridin-3-yl-4,5-dihydro-1H-pyrazolo[4,3-g]benzothiazol-7-yl]-acetamide; phosphatidylinositol-3-kinases (PI3-kinases) inhibitor; cell growth, differentiation and intracellular transport processes; antiproliferative, antiinflammatory agent; autoimmune diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-31 US disclosed
EP-2343303-A1 PI3-kinase inhibitors Boehringer Ingelheim International GmbH (DE) 2011-07-13 EP disclosed
US-20090156554-A1 P13-KINASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-18 US disclosed
US-20060106013-A1 PI3-kinases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-05-18 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-20090156554-A1 P13-KINASES PIK3C3, PDPK1, MAP3K13 SMN1; SMN2 3429/4885ALDH1A1 3040/4885RAB9A 867/4885
US-20060106013-A1 PI3-kinases PIK3C3, PIK3CB, PIK3CD SMN1; SMN2 3272/4885ALDH1A1 1935/4885RAB9A 787/4885

“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.