SCHEMBL4512392

SCHEMBL4512392

CC(=O)Nc1nc2c(s1)C(=O)C(C(=O)C(=O)O)CC2

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 1/20 0.40
ALDH1A1 P00352 6/20 0.38
NPC1 O15118 6/20 0.38
RAB9A P51151 6/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
TP53 P04637 2/20 0.38
POLB P06746 1/20 0.38
PI4KB Q9UBF8 3/20 0.36
PIK3CG P48736 6/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL692655 0.93 ALDH1A1 (0.41) MAPTLMNAGAAHPGDALDH1A1
SCHEMBL2143829 0.88 MAPT (0.42) MAPTLMNAGAAHPGDALDH1A1
SCHEMBL10103036 0.88 MAPT (0.43) MAPTLMNAGAAHPGDALDH1A1
SCHEMBL3948651 0.85 ALDH1A1 (0.43) MAPTLMNAGAAHPGDALDH1A1
SCHEMBL2143750 0.84 LMNA (0.39) MAPTLMNAGAAHPGDALDH1A1
SCHEMBL11942155 0.83 HPGD (0.43) MAPTLMNAGAAHPGDALDH1A1
SCHEMBL2144189 0.83 ALDH1A1 (0.50) MAPTLMNAGAAHPGDALDH1A1
SCHEMBL4042563 0.82 ALDH1A1 (0.39) MAPTLMNAGAAHPGDALDH1A1
SCHEMBL2143737 0.82 LMNA (0.39) MAPTLMNAGAAHPGDALDH1A1
SCHEMBL4046327 0.82 NPC1 (0.39) MAPTLMNAGAAHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 MAPT 4415/4885LMNA 3857/4885GAA 654/4885
US-20060106013-A1 PI3-kinases PIK3C3, PIK3CB, PIK3CD MAPT 4447/4885LMNA 4717/4885GAA 436/4885

“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.