SCHEMBL3339367

SCHEMBL3339367

Cc1cc2ccn(C)c2cc1N

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.55
PIK3CB P42338 1/20 0.50
ATAD2 Q6PL18 1/20 0.46
CYP2A6 P11509 2/20 0.42
TERT O14746 1/20 0.41
CYP3A4 P08684 2/20 0.39
TSHR P16473 2/20 0.39
MAPK1 P28482 1/20 0.39
HSD11B1 P28845 1/20 0.38
PKM P14618 1/20 0.37
BRPF1 P55201 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
CASP1 P29466 1/20 0.35
AR P10275 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 1/20 0.34
EGFR P00533 1/20 0.34
LRRK2 Q5S007 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
SCHEMBL31035982 0.92 PRKCI (0.55) PRKCIPIK3CBATAD2CYP2A6TERT
SCHEMBL13209488 0.83 PRKCI (0.52) PRKCIPIK3CBCYP2A6CYP3A4TSHR
SCHEMBL18239894 0.80 PRKCI (0.46) PRKCIPIK3CBCYP2A6HSD11B1PKM
SCHEMBL18683804 0.78 PRKCI (0.60) PRKCIPIK3CBCYP2A6HSD11B1PKM
SCHEMBL20660663 0.77 ALDH1A1 (0.57) PRKCIPIK3CBCYP2A6CYP3A4TSHR
SCHEMBL20660849 0.77 ALDH1A1 (0.57) PRKCIPIK3CBCYP2A6CYP3A4TSHR
SCHEMBL18014680 0.76 PRKCI (0.46) PRKCIPIK3CBCYP2A6HSD11B1PKM
SCHEMBL17827631 0.76 PRKCI (0.46) PRKCIPIK3CBCYP2A6CYP3A4TSHR
SCHEMBL18876201 0.76 PRKCI (0.50) PRKCIPIK3CBCYP2A6CYP3A4HSD11B1
SCHEMBL3342628 0.75 MCL1 (0.40) PRKCIATAD2TERT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2393781-B1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS HOFFMANN LA ROCHE (CH) 2014-03-12 EP disclosed
US-20100160388-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 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-20100160388-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS P2RY1, P2RX1, P2RX3 PRKCI 3807/4885PIK3CB 3792/4885ATAD2 3512/4885

“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.