SCHEMBL4497771

SCHEMBL4497771

O=C(O)c1nc(-c2ccccn2)n2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.50
BRD2 P25440 1/20 0.50
BRD3 Q15059 1/20 0.50
BAZ2B Q9UIF8 1/20 0.50
BAZ2A Q9UIF9 1/20 0.50
CTSD P07339 4/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
HPGD P15428 2/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PTGS2 P35354 2/20 0.42
PTGS1 P23219 1/20 0.42
KDM4E B2RXH2 5/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KDM6B O15054 1/20 0.41
KDM4A O75164 1/20 0.41

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
SCHEMBL4497415 0.82 L3MBTL1 (0.60) L3MBTL1HPGDPOLBMAPK1SMN1; SMN2
SCHEMBL4326575 0.79 CD38 (0.41) BRD4BRD2BRD3BAZ2BBAZ2A
SCHEMBL25787087 0.77 KMT2A (0.56) BRD4BRD2BRD3BAZ2BBAZ2A
SCHEMBL23430642 0.76 SMN1; SMN2 (0.46) BRD4BRD2BRD3BAZ2BBAZ2A
SCHEMBL22406353 0.76 BRD4 (0.44) BRD4BRD2BRD3BAZ2BBAZ2A
SCHEMBL4326579 0.76 CNR2 (0.48) MAPK1KDM4EALDH1A1HSD17B10
SCHEMBL25374632 0.75 HAT1 (0.49) L3MBTL1HPGDPOLBMAPK1SMN1; SMN2
SCHEMBL20962760 0.75 GAA (0.45) BRD4BRD2BRD3BAZ2BBAZ2A
SCHEMBL20006700 0.75 BRD4 (0.47) BRD4BRD2BRD3BAZ2BBAZ2A
SCHEMBL17023894 0.75 GAA (0.50) BRD4BRD2BRD3BAZ2BBAZ2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1917262-B1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2011-12-14 EP disclosed
US-7491821-B2 2-(4-fluorophenyl)-4-propyl-oxazole-5-carboxylic acid {2-[4-(6-aminopyridin-2-yl)-piperazin-1-yl]-1-methyl-ethyl}amide; purinergic receptor antagonists, analgesics; urogenital, gastointestinal and respiratory system disorders ROCHE PALO ALTO LLC (US) 2009-02-17 US disclosed
EP-1917262-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2008-05-07 EP disclosed
WO-2007020194-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-22 WO disclosed
US-20070037974-A1 Inhibitors of P2X3 ROCHE PALO ALTO LLC 2007-02-15 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-20070037974-A1 Inhibitors of P2X3 P2RX3, P2RX4, P2RX5 BRD4 599/4885BRD2 1415/4885BRD3 285/4885

“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.