SCHEMBL2260033

SCHEMBL2260033

Cc1ccc(-c2cc(C(=O)N[C@H](C)c3nc(C)no3)c[n+]([O-])c2)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 3/20 0.41
P2RX2 Q9UBL9 3/20 0.41
TP53 P04637 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GABRA5 P31644 1/20 0.39
RIPK1 Q13546 1/20 0.38
RPS6KA5 O75582 1/20 0.36
MAP4K4 O95819 1/20 0.36
PRKCG P05129 1/20 0.36
CDK1 P06493 1/20 0.36
PRKACA P17612 1/20 0.36
RPS6KB1 P23443 1/20 0.36
CDK2 P24941 1/20 0.36
MAPK1 P28482 1/20 0.36
AKT1 P31749 1/20 0.36
AKT2 P31751 1/20 0.36
FLT4 P35916 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
IRAK1 P51617 1/20 0.36

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
SCHEMBL13095475 0.75 GABRA5 (0.40) P2RX3P2RX2GABRA5RIPK1RPS6KA5
SCHEMBL2260843 0.73 JAK2 (0.42) SMN1; SMN2KDM1AHDAC1HDAC6
SCHEMBL3058052 0.73 NR1I2 (0.49) P2RX3P2RX2GABRA5RIPK1KCNT1
SCHEMBL3070727 0.72 WDR5 (0.38) P2RX3P2RX2GABRA5RIPK1RPS6KA5
SCHEMBL21048472 0.72 WDR5 (0.38) P2RX3P2RX2GABRA5RIPK1RPS6KA5
SCHEMBL13104922 0.72 GABRA5 (0.39) P2RX3P2RX2GABRA5RIPK1RPS6KA5
SCHEMBL13092739 0.72 KCNT1 (0.41) P2RX3P2RX2GABRA5RIPK1KCNT1
SCHEMBL2261759 0.66 SMN1; SMN2 (0.53) TP53SMN1; SMN2RIPK1KCNT1
SCHEMBL16628867 0.66 SMN1; SMN2 (0.53) TP53SMN1; SMN2RIPK1KCNT1
SCHEMBL3068648 0.66 P2RX3 (0.50) P2RX3P2RX2

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
US-8598209-B2 P2X3, receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2013-12-03 US claimed
US-20110206783-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2011-08-25 US claimed
EP-2860178-A2 P2X3 receptor antagonists for treatment of pain Merck Sharp & Dohme Corp. (US) 2015-04-15 EP disclosed
US-8598209-B2 P2X3, receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2013-12-03 US disclosed
US-20110206783-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2011-08-25 US disclosed
WO-2010051188-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME CORP. (US) 2010-05-06 WO 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-20110206783-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 P2RX3 1/4885P2RX2 3/4885TP53 4666/4885

“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.