SCHEMBL4494401

SCHEMBL4494401

O=C(O)c1c(-c2ccccc2)nn(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.69
CYP2C19 P33261 3/20 0.69
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
CYP1A2 P05177 1/20 0.69
ALDH1A1 P00352 5/20 0.51
CYP3A4 P08684 2/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
MAPT P10636 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
SRC P12931 1/20 0.50
BRAF P15056 1/20 0.50
KDR P35968 1/20 0.50
RPA1 P27694 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PTGER1 P34995 2/20 0.45
DHODH Q02127 1/20 0.44
PDE10A Q9Y233 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL14133375 0.83 MEN1 (0.69) CYP2C9CYP2C19MEN1KMT2ACYP1A2
SCHEMBL1553100 0.82 MEN1 (1.00) CYP2C9CYP2C19MEN1KMT2ACYP1A2
SCHEMBL14132434 0.82 CYP2C9 (1.00) CYP2C9CYP2C19MEN1KMT2ACYP1A2
Hydrochloric Acid SCHEMBL6281990 0.80 MEN1 (0.65) CYP2C9CYP2C19MEN1KMT2ACYP1A2
SCHEMBL8422338 0.80 ALDH1A1 (0.68) CYP2C9CYP2C19MEN1KMT2ACYP1A2
SCHEMBL10357411 0.80 CYP2C9 (0.64) CYP2C9CYP2C19MEN1KMT2ACYP1A2
SCHEMBL6270116 0.78 MEN1 (0.67) CYP2C9CYP2C19MEN1KMT2ACYP1A2
Acetic Acid SCHEMBL11543434 0.78 PTGER1 (0.59) CYP2C9CYP2C19MEN1KMT2ACYP1A2
SCHEMBL14495715 0.77 PTGER1 (0.54) CYP2C9CYP2C19MEN1KMT2ACYP1A2
SCHEMBL14586257 0.77 MEN1 (0.65) CYP2C9CYP2C19MEN1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102869648-A Pyrazole synthesis by coupling of carboxylic acid derivatives and enamines WESTFAELISHE WILHELMS U MUENSTER 2013-01-09 CN disclosed
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 CYP2C9 728/4885CYP2C19 987/4885MEN1 4495/4885

“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.