Sugi Predict

Sugi Predict / Compounds / SCHEMBL1885405

SCHEMBL1885405

SCHEMBL1885405

CCc1cnc(CCNC(=O)Nc2nc(C)c(-c3cc(C)nc(NCCCn4ccnc4)n3)s2)o1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 3/20 0.37
▸ HSD17B10 Q99714 3/20 0.37
▸ MAPT P10636 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ QPCT Q16769 1/20 0.36
▸ ALDH1A1 P00352 5/20 0.35
▸ CYP19A1 P11511 1/20 0.35
▸ KDM4E B2RXH2 4/20 0.35
▸ GLA P06280 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ NAMPT P43490 4/20 0.34
▸ POLB P06746 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ STAT3 P40763 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
SCHEMBL1886450 0.91 AURKA (0.38) ALOX15HSD17B10MAPTLMNAQPCT
SCHEMBL1892220 0.86 FGFR1 (0.38) —
SCHEMBL1888621 0.85 PIK3CG (0.34) —
SCHEMBL1887834 0.84 PIK3CG (0.35) KDM4E
SCHEMBL1886584 0.84 NOS2 (0.41) CYP2C9
SCHEMBL1886261 0.82 PIK3CG (0.48) LMNAALDH1A1CYP3A4SMN1; SMN2MAPK1
SCHEMBL1890711 0.81 PIK3CG (0.40) —
SCHEMBL5737384 0.80 PIK3CG (0.32) CYP2C9
SCHEMBL1886404 0.78 PIK3CG (0.35) KDM4EMAPK1
SCHEMBL1889373 0.78 PIK3CG (0.39) CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2157091-B1 Inhibitors of phosphatidylinositol 3-kinase NOVARTIS AG (CH) 2015-06-10 — — EP disclosed
US-20130172349-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE NOVARTIS AG (CH) 2013-07-04 — — US disclosed
US-8404684-B2 Inhibitors of phosphatidylinositol 3-kinase NOVARTIS AG (CH) 2013-03-26 — — US disclosed
US-20110105535-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE NOVARTIS AG 2011-05-05 — — US disclosed
EP-2157091-A1 Inhibitors of phosphatidylinositol 3-kinase Novartis AG (CH) 2010-02-24 — — EP disclosed
EP-1622897-B1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE NOVARTIS AG (CH) 2009-10-14 — — EP disclosed
US-20070032487-A1 Inhibitors of phosphatidylinositol 3-kinase NOVARTIS AG (CH) 2007-02-08 — — 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 (3 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-20070032487-A1 Inhibitors of phosphatidylinositol 3-kinase PIK3CA, PIP4K2C, PIP4K2B ALOX15 4606/4885HSD17B10 2198/4885MAPT 3644/4885
US-20110105535-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CA, PIK3CD, PIP4K2C ALOX15 4626/4885HSD17B10 2351/4885MAPT 3470/4885
US-20130172349-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CA, PIK3CD, PIP4K2C ALOX15 4626/4885HSD17B10 2351/4885MAPT 3470/4885

“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.