SCHEMBL346256

SCHEMBL346256

Cc1noc([C@@H](C)NC(=O)c2cc3c(-c4ccc(F)cc4F)n[nH]c3s2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.38
DPP4 P27487 3/20 0.38
DPP7 Q9UHL4 1/20 0.38
GABRA5 P31644 1/20 0.37
RIPK1 Q13546 1/20 0.36
ALPL P05186 3/20 0.35
DGAT2 Q96PD7 1/20 0.35
ACKR3 P25106 3/20 0.35
MAPT P10636 3/20 0.34
POLB P06746 1/20 0.34
TP53 P04637 1/20 0.34
MAPK1 P28482 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PLK4 O00444 1/20 0.33
AURKA O14965 1/20 0.33
MAPK13 O15264 1/20 0.33
DAPK3 O43293 1/20 0.33
ROCK2 O75116 1/20 0.33
CHEK2 O96017 1/20 0.33

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
SCHEMBL348103 0.80 DGAT2 (0.42) STAT3DPP4DPP7GABRA5RIPK1
SCHEMBL366472 0.80 DGAT2 (0.42) STAT3DPP4DPP7GABRA5RIPK1
SCHEMBL347398 0.78 ALDH1A1 (0.41) GABRA5RIPK1DGAT2MAPTTP53
SCHEMBL348425 0.76 DGAT2 (0.39) STAT3GABRA5RIPK1DGAT2ACKR3
SCHEMBL348066 0.74 PIM1 (0.42) RIPK1ALPLMAPK1PLK4AURKA
SCHEMBL347014 0.72 MAPK14 (0.44) ALPLMAPTNPC1RAB9APLK4
SCHEMBL13095475 0.70 GABRA5 (0.40) DPP4DPP7GABRA5RIPK1DGAT2
SCHEMBL3070727 0.70 WDR5 (0.38) DPP4DPP7GABRA5RIPK1DGAT2
SCHEMBL21048472 0.70 WDR5 (0.38) DPP4DPP7GABRA5RIPK1DGAT2
SCHEMBL3058052 0.69 NR1I2 (0.49) DPP4DPP7GABRA5RIPK1DGAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411001-B1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2018-01-17 EP disclosed
US-8569512-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2013-10-29 US disclosed
US-20120015052-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2012-01-19 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-20120015052-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 STAT3 2474/4885DPP4 1162/4885DPP7 1593/4885

“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.