SCHEMBL3348736

SCHEMBL3348736

Cc1ccc(-n2ncc(=O)[nH]c2=O)cc1N

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 11/20 0.48
THRB P10828 5/20 0.46
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NR1I2 O75469 1/20 0.40
ABCB11 O95342 1/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
THRA P10827 1/20 0.39
XBP1 P17861 1/20 0.39

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
SCHEMBL3346085 0.82 MEN1 (0.43) P2RX7THRBMEN1KMT2ANR1I2
SCHEMBL3348732 0.81 P2RX7 (0.58) P2RX7THRBMEN1KMT2ANR1I2
SCHEMBL8961567 0.79 THRB (0.58) P2RX7THRBMAPTABCB11LMNA
SCHEMBL30504582 0.79 THRB (0.58) P2RX7THRBMAPTABCB11LMNA
SCHEMBL30504581 0.79 THRB (0.58) P2RX7THRBMAPTABCB11LMNA
SCHEMBL1412845 0.79 P2RX7 (0.59) P2RX7THRBMEN1KMT2ANR1I2
SCHEMBL3342526 0.77 P2RX7 (0.40) P2RX7MEN1KMT2AMAPTKDM4E
SCHEMBL17471437 0.76 THRB (0.52) P2RX7THRBTHRA
SCHEMBL10439124 0.76 NPC1 (0.55) THRBKMT2AMAPTKDM4ENPSR1
SCHEMBL3582300 0.76 TSHR (0.42) P2RX7THRBMEN1KMT2AMAPT

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 P2RX7 8/4885THRB 1894/4885MEN1 2632/4885

“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.