SCHEMBL11901463

SCHEMBL11901463

Cc1cccc(Nc2ccccc2)c1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.55
GAA P10253 6/20 0.55
ALDH1A1 P00352 5/20 0.55
KDM4E B2RXH2 4/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
LMNA P02545 2/20 0.55
CYP1A2 P05177 2/20 0.55
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 2/20 0.55
CYP2D6 P10635 1/20 0.55
TDP1 Q9NUW8 4/20 0.52
GLA P06280 1/20 0.52
RECQL P46063 1/20 0.52
HPGD P15428 3/20 0.47
ALOX15 P16050 3/20 0.47
HSD17B10 Q99714 3/20 0.47
CYP3A4 P08684 2/20 0.47
TP53 P04637 2/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL16239689 0.83 MAPK13 (0.47) MAPTGAAKDM4EMEN1KMT2A
SCHEMBL17947388 0.82 CD44 (0.43) MAPTGAAALDH1A1KDM4EMEN1
SCHEMBL304152 0.81 MAPT (0.56) MAPTGAAALDH1A1KDM4EMEN1
SCHEMBL18760113 0.80 MAPT (0.55) MAPTGAAALDH1A1KDM4EMEN1
SCHEMBL31484215 0.79 MAPT (0.72) MAPTGAAALDH1A1KDM4EMEN1
SCHEMBL16934632 0.79 MAPT (0.72) MAPTGAAALDH1A1KDM4EMEN1
SCHEMBL429858 0.79 MEN1 (0.58) MAPTGAAALDH1A1KDM4EMEN1
SCHEMBL30594032 0.79 MEN1 (0.58) MAPTGAAALDH1A1KDM4EMEN1
SCHEMBL18745334 0.78 MAPT (0.54) MAPTGAAALDH1A1KDM4EMEN1
SCHEMBL12320135 0.77 MAPT (0.52) MAPTGAAALDH1A1KDM4EMEN1

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
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
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 MAPT 1752/4885GAA 1526/4885ALDH1A1 1680/4885

“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.