SCHEMBL4515570

SCHEMBL4515570

CS(=O)(=O)c1nn(-c2ccccc2)c2c1CCc1nc(Nc3ccccc3)sc1-2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 4/20 0.41
CCNA2 P20248 3/20 0.41
CCNA1 P78396 3/20 0.41
AURKA O14965 2/20 0.41
NPC1 O15118 6/20 0.38
RAB9A P51151 6/20 0.38
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
MAPT P10636 5/20 0.38
ALDH1A1 P00352 4/20 0.38
NFKB1 P19838 3/20 0.38
NFKB2 Q00653 3/20 0.38
RELA Q04206 3/20 0.38
GAA P10253 3/20 0.38
LMNA P02545 2/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.36
CASP3 P42574 2/20 0.34
SENP8 Q96LD8 2/20 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
SCHEMBL4515568 0.74 CA2 (0.39) CDK2CCNA2NPC1RAB9AMAPT
SCHEMBL3273680 0.72 PIK3CG (0.44) CDK2CCNA2CCNA1AURKANPC1
SCHEMBL2143715 0.71 LMNA (0.45) CDK2CCNA2CCNA1AURKANPC1
SCHEMBL14365601 0.70 ALDH1A1 (0.45) CDK2CCNA2CCNA1AURKANPC1
SCHEMBL3273663 0.69 FHIT (0.42) CDK2CCNA2CCNA1AURKANPC1
SCHEMBL5036594 0.69 PIK3CG (0.41) CDK2CCNA2CCNA1AURKANPC1
SCHEMBL2143746 0.69 RIPK1 (0.45) CDK2CCNA2CCNA1AURKANPC1
SCHEMBL14365603 0.68 NPC1 (0.45) CDK2CCNA2CCNA1AURKANPC1
SCHEMBL10103790 0.67 MAPT (0.43) CDK2CCNA2CCNA1AURKANPC1
SCHEMBL14365602 0.66 PIK3CG (0.38) CDK2CCNA2CCNA1AURKANPC1

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 CDK2 239/4885CCNA2 1079/4885CCNA1 644/4885
US-20060106013-A1 PI3-kinases PIK3C3, PIK3CB, PIK3CD CDK2 338/4885CCNA2 2233/4885CCNA1 2016/4885

“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.