SCHEMBL8067239

SCHEMBL8067239

CCc1cccc(Nc2ccc(N)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.54
MAPT P10636 4/20 0.53
HTT P42858 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
ALDH1A1 P00352 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
ALOX12 P18054 1/20 0.53
CYP2C19 P33261 1/20 0.53
KIF11 P52732 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
GFER P55789 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
IDO1 P14902 1/20 0.46
GRM4 Q14833 1/20 0.46

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
SCHEMBL8896899 0.87 RAPGEF4 (0.67) RAPGEF4MAPTHTTL3MBTL1ALDH1A1
SCHEMBL4701514 0.85 RAPGEF4 (0.61) RAPGEF4MAPTHTTL3MBTL1ALDH1A1
SCHEMBL27708481 0.84 MAPT (0.55) MAPTHTTL3MBTL1ALDH1A1CYP1A2
SCHEMBL8075313 0.82 RAPGEF4 (0.54) RAPGEF4MAPTHTTL3MBTL1ALDH1A1
SCHEMBL6029581 0.82 RAPGEF4 (0.54) RAPGEF4MAPTHTTL3MBTL1ALDH1A1
SCHEMBL29939003 0.82 RAPGEF4 (0.54) RAPGEF4MAPTHTTL3MBTL1ALDH1A1
SCHEMBL5081519 0.82 MAPT (0.63) RAPGEF4MAPTHTTL3MBTL1ALDH1A1
SCHEMBL2777971 0.81 CYP3A4 (0.54) MAPTHTTL3MBTL1ALDH1A1CYP1A2
SCHEMBL20049388 0.80 MAPT (0.73) RAPGEF4MAPTHTTL3MBTL1ALDH1A1
SCHEMBL26088637 0.79 MAPT (0.50) MAPTHTTL3MBTL1ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110212053-A1 PHOSPHATIDYLINOSITOL 3 KINASE INHIBITORS PROGENICS PHARMACEUTICALS, INC. 2011-09-01 US disclosed
EP-1030572-A1 PRODUCT APPLICATOR THE PROCTER & GAMBLE COMPANY (US) 2000-08-30 EP disclosed
WO-1999026508-A1 PRODUCT APPLICATOR THE PROCTER & GAMBLE COMPANY (US) 1999-06-03 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 (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-20110212053-A1 PHOSPHATIDYLINOSITOL 3 KINASE INHIBITORS PIK3CA, AKT1, PIK3R5 RAPGEF4 675/4885MAPT 3045/4885HTT 2663/4885

“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.