SCHEMBL11901092

SCHEMBL11901092

Cc1cccc2nc([C@H](C)N)n(-c3ccccc3)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
PIK3CD O00329 6/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
HCRTR1 O43613 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
CRHR1 P34998 2/20 0.37
TLR8 Q9NR97 1/20 0.36
PIK3CG P48736 2/20 0.36
PIK3CB P42338 1/20 0.36
ALDH1A1 P00352 2/20 0.35
PIK3R1 P27986 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 1/20 0.35
PIK3CA P42336 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
CASR P41180 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
SCHEMBL11901796 0.84 PRMT5 (0.44) PIK3CDPIK3CGPIK3CBPIK3R1PIK3CA
SCHEMBL12472459 0.84 PIK3CG (0.38) MAPK1HTTPIK3CDPIK3CGPIK3CB
SCHEMBL12472460 0.84 PRMT5 (0.44) PIK3CDPIK3CGPIK3CBPIK3R1PIK3CA
SCHEMBL11900821 0.84 PIK3CG (0.38) MAPK1HTTPIK3CDPIK3CGPIK3CB
SCHEMBL11964469 0.84 PIK3CD (0.37) MAPK1HTTPIK3CDMEN1KMT2A
Hydrochloric Acid SCHEMBL12472863 0.83 PIK3CD (0.36) MAPK1HTTPIK3CDMEN1KMT2A
Hydrochloric Acid SCHEMBL11901162 0.83 PIK3CD (0.36) MAPK1HTTPIK3CDMEN1KMT2A
SCHEMBL11964440 0.82 PIK3CD (0.36) MAPK1HTTPIK3CDMEN1KMT2A
SCHEMBL15812927 0.81 PIK3CD (0.60) PIK3CDPIK3CGPIK3CBPIK3R1PIK3CA
SCHEMBL15812924 0.81 PIK3CD (0.60) PIK3CDPIK3CGPIK3CBPIK3R1PIK3CA

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-8653089-B2 Heterocyclic compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2014-02-18 US disclosed
US-8653089-B2 Heterocyclic compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2014-02-18 US disclosed
US-8653089-B2 Heterocyclic compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2014-02-18 US disclosed
EP-2673269-A1 HETEROCYCLIC COMPOUNDS AS PI3 KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2013-12-18 EP disclosed
WO-2012107465-A1 HETEROCYCLIC COMPOUNDS AS PI3 KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-08-16 WO disclosed
US-20120202785-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 US disclosed
US-20120202785-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 US disclosed
US-20120202785-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 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 (1 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-20120202785-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, AKT3 MAPK1 71/4885HTT 4398/4885PIK3CD 2/4885

“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.