SCHEMBL9956209

SCHEMBL9956209

C[S+]([O-])c1nccc(-c2cnc(N)nc2COCc2ccccc2)n1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 10/20 0.37
MAPT P10636 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
CDC7 O00311 2/20 0.35
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CG P48736 1/20 0.34
PIK3C3 Q8NEB9 1/20 0.34
PI4KB Q9UBF8 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
SCHEMBL9958006 0.75 PIK3C3 (0.63) GHSRPIK3CDPIK3CAPIK3CGPIK3C3
SCHEMBL9956619 0.74 CDK2 (0.36) MAPTPIK3CDPIK3CAPIK3CGPIK3C3
SCHEMBL9957369 0.70 PIK3CA (0.38) PIK3CDPIK3CAPIK3CGPIK3C3PI4KB
SCHEMBL27537440 0.69 TSHR (0.46) GHSR
SCHEMBL13068606 0.65 GHSR (0.60) GHSR
SCHEMBL18391615 0.65 MAPK8 (0.56) MAPTNPSR1
SCHEMBL28879505 0.64 TSHR (0.50) MAPTCDC7
SCHEMBL28509535 0.62 LTA4H (0.53) MAPTCDC7
SCHEMBL30507524 0.62 LTA4H (0.53) MAPTCDC7
SCHEMBL6070210 0.61 TGFBR1 (0.56)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655340-B1 BI-HETEROARYL COMPOUNDS AS VPS34 INHIBITORS NOVARTIS AG (CH) 2015-01-21 EP disclosed
US-8901147-B2 Bi-heteroaryl compounds as Vps34 inhibitors NOVARTIS AG (CH) 2014-12-02 US disclosed
US-20140155402-A1 BI-HETEROARYL COMPOUNDS AS VPS34 INHIBITORS NOVARTIS AG (CH) 2014-06-05 US disclosed
US-20130338159-A1 BI-HETEROARYL COMPOUNDS AS VPS34 INHIBITORS NOVARTIS AG (CH) 2013-12-19 US disclosed
EP-2655340-A1 BI-HETEROARYL COMPOUNDS AS VPS34 INHIBITORS Novartis AG (CH) 2013-10-30 EP disclosed
WO-2012085815-A1 BI-HETEROARYL COMPOUNDS AS VPS34 INHIBITORS NOVARTIS AG (CH) 2012-06-28 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 (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-20140155402-A1 BI-HETEROARYL COMPOUNDS AS VPS34 INHIBITORS VPS35, VPS26B, VPS26A GHSR 2126/4885MAPT 1013/4885NPSR1 3941/4885
US-20130338159-A1 BI-HETEROARYL COMPOUNDS AS VPS34 INHIBITORS VPS35, VPS26B, VPS26A GHSR 1998/4885MAPT 948/4885NPSR1 3834/4885

“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.