SCHEMBL3344889

SCHEMBL3344889

CCc1cc(-c2cccc(C(N)=O)c2)n[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 2/20 0.49
MAPK8 P45983 1/20 0.49
MAP2K4 P45985 2/20 0.49
USP30 Q70CQ3 1/20 0.46
PIM1 P11309 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
CYP2D6 P10635 1/20 0.43
CYP2A6 P11509 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2B6 P20813 1/20 0.43
CYP2C19 P33261 1/20 0.43
HCAR2 Q8TDS4 1/20 0.43
FYN P06241 1/20 0.43
CA12 O43570 1/20 0.43
ALPL P05186 1/20 0.43
CA9 Q16790 1/20 0.43
PARP1 P09874 3/20 0.42
BRD4 O60885 1/20 0.42
CCNT1 O60563 1/20 0.42

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
SCHEMBL3344891 0.79 METAP2 (0.49) GAAMAPTCYP2D6CYP2A6CYP2C9
SCHEMBL14985492 0.77 IDO1 (0.58) MAPTCYP2D6CYP2A6CYP2C9CYP2B6
SCHEMBL14985490 0.77 IDO1 (0.50) GAAMAPTCYP2D6CYP2A6CYP2C9
SCHEMBL1696565 0.76 L3MBTL1 (0.63) PIM1GAACYP2D6CYP2A6CYP2C9
SCHEMBL16730757 0.76 MAPT (0.50) PIM1MAPTCYP2D6CYP2A6CYP2C9
SCHEMBL14985496 0.76 ALDH1A1 (0.50)
SCHEMBL10243641 0.74 BCL2 (0.55) PARP1
SCHEMBL10243328 0.74 BCL2 (0.55) PARP1
SCHEMBL7236291 0.73 CYP2A6 (0.72) MAP2K4PIM1CYP2D6CYP2A6CYP2C9
SCHEMBL6652224 0.72 IDO1 (0.52) USP30MAPTCYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160384-A1 DIHYDROPYRIDONE AMIDES 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-20100160384-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX6, P2RX3 TTK 3719/4885MAPK8 2695/4885MAP2K4 3681/4885

“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.