SCHEMBL3344289

SCHEMBL3344289

COc1cc(N)c(Br)cc1C#N

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 1/20 0.53
USP2 O75604 1/20 0.53
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
AR P10275 12/20 0.42
IMPDH2 P12268 1/20 0.41
IMPDH1 P20839 1/20 0.41
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PGR P06401 1/20 0.40
P2RX3 P56373 1/20 0.38
P2RX2 Q9UBL9 1/20 0.38
NPC1 O15118 1/20 0.37

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
SCHEMBL31503655 0.93 ALDH1A1 (0.53) ALDH1A1KDM4EUSP2POLBL3MBTL1
SCHEMBL1981958 0.87 KDM4E (0.55) ALDH1A1KDM4EUSP2POLBL3MBTL1
SCHEMBL1708651 0.85 KDM4E (0.49) ALDH1A1KDM4EUSP2POLBL3MBTL1
SCHEMBL1511834 0.84 ALDH1A1 (0.60) ALDH1A1KDM4EUSP2ARIMPDH2
SCHEMBL8777864 0.82 ALDH1A1 (0.58) ALDH1A1KDM4EUSP2POLBL3MBTL1
SCHEMBL10985027 0.81 POLB (0.47) ALDH1A1KDM4EPOLBL3MBTL1MAPT
Hydrochloric Acid SCHEMBL11411334 0.81 ALDH1A1 (0.56) ALDH1A1KDM4EUSP2POLBL3MBTL1
SCHEMBL31554560 0.79 ALDH1A1 (0.55) ALDH1A1KDM4EUSP2POLBL3MBTL1
SCHEMBL24823994 0.78 POLB (0.62) ALDH1A1KDM4EUSP2POLBL3MBTL1
SCHEMBL14720180 0.78 ALDH1A1 (0.44) ALDH1A1KDM4EUSP2ARIMPDH2

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 4 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
EP-2393781-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS F. Hoffmann-La Roche AG (CH) 2011-12-14 EP disclosed
WO-2010072599-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 WO 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 ALDH1A1 1399/4885KDM4E 2644/4885USP2 2698/4885

“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.