SCHEMBL3511023

SCHEMBL3511023

Cc1nc(N)sc1-c1csc(Nc2cccnc2)n1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.80
SMN1; SMN2 Q16637 5/20 0.80
KDM4E B2RXH2 2/20 0.80
HPGD P15428 1/20 0.80
CASP1 P29466 1/20 0.80
CASP7 P55210 1/20 0.80
TRPV4 Q9HBA0 1/20 0.80
NPC1 O15118 8/20 0.75
RAB9A P51151 6/20 0.75
GAA P10253 6/20 0.75
ALDH1A1 P00352 5/20 0.75
HSD17B10 Q99714 4/20 0.75
USP2 O75604 3/20 0.75
CLK1 P49759 2/20 0.75
ALOX15 P16050 1/20 0.75
PIK3CG P48736 1/20 0.69
MEN1 O00255 10/20 0.66
KMT2A Q03164 10/20 0.66
TDP1 Q9NUW8 4/20 0.64
POLB P06746 3/20 0.64

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
SCHEMBL16440426 0.89 TRPV4 (1.00) MAPTSMN1; SMN2KDM4EHPGDCASP1
SCHEMBL29170022 0.86 NPC1 (1.00) MAPTSMN1; SMN2KDM4EHPGDTRPV4
SCHEMBL4515507 0.85 PIK3CG (0.72) MAPTSMN1; SMN2KDM4EHPGDCASP1
SCHEMBL4528884 0.84 PIK3CG (0.84) MAPTSMN1; SMN2KDM4EHPGDCASP1
SCHEMBL4515503 0.83 PIK3CG (0.72) MAPTSMN1; SMN2KDM4EHPGDCASP1
SCHEMBL16434487 0.82 MEN1 (0.80) MAPTSMN1; SMN2KDM4ETRPV4NPC1
SCHEMBL3511282 0.82 PIK3CG (1.00) MAPTSMN1; SMN2KDM4EHPGDCASP1
SCHEMBL17128088 0.80 MAPT (0.67) MAPTSMN1; SMN2KDM4EHPGDCASP1
SCHEMBL18281285 0.78 MEN1 (1.00) MAPTSMN1; SMN2KDM4EHPGDTRPV4
SCHEMBL7554938 0.77 MAPT (0.91) MAPTSMN1; SMN2KDM4EHPGDCASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940771-B2 Organic compounds NOVARTIS AG (CH) 2015-01-27 US disclosed
EP-2240475-B1 THIAZOLE DERIVATIVES USED AS PI 3 KINASE INHIBITORS NOVARTIS AG (CH) 2013-09-25 EP disclosed
US-20100298286-A1 Organic Compounds NOVARTIS AG 2010-11-25 US disclosed
EP-2240475-A1 THIAZOLE DERIVATIVES USED AS PI 3 KINASE INHIBITORS Novartis AG (CH) 2010-10-20 EP disclosed
EP-2238134-A2 BIS-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS Novartis AG (CH) 2010-10-13 EP disclosed
WO-2009080694-A1 THIAZOLE DERIVATIVES USED AS PI 3 KINASE INHIBITORS NOVARTIS AG (CH) 2009-07-02 WO disclosed
WO-2009080705-A2 BIS-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS NOVARTIS AG (CH) 2009-07-02 WO disclosed
US-20090163469-A1 Organic Compounds NOVARTIS AG 2009-06-25 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-20100298286-A1 Organic Compounds PIK3CA, PI4KB, PIK3CB MAPT 980/4885SMN1; SMN2 2765/4885KDM4E 2526/4885
US-20090163469-A1 Organic Compounds PIK3C3, PIK3CA, PIK3CD MAPT 1124/4885SMN1; SMN2 4701/4885KDM4E 2761/4885

“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.