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SCHEMBL348124

SCHEMBL348124

Cc1noc([C@@H](C)NC(=O)c2ccc3c(N4CCOCC4)nn(-c4ccsc4)c3c2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT2 Q96PD7 4/20 0.43
▸ RIPK1 Q13546 1/20 0.40
▸ MAPT P10636 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ LRRK2 Q5S007 2/20 0.34
▸ UBE2N P61088 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ RPS6KA2 Q15349 2/20 0.33
▸ LCK P06239 1/20 0.33
▸ KIT P10721 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ MAPK9 P45984 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ DUSP3 P51452 1/20 0.33
▸ PTPN5 P54829 1/20 0.33
▸ PTPN11 Q06124 1/20 0.33
▸ RPS6KA3 P51812 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
SCHEMBL346684 0.82 DGAT2 (0.45) DGAT2RIPK1
SCHEMBL348125 0.78 KMO (0.43) KMT2AMEN1KDM4E
SCHEMBL347954 0.72 RIPK1 (0.53) DGAT2RIPK1MAPTSMN1; SMN2HPGD
SCHEMBL348096 0.68 DGAT2 (0.59) DGAT2RIPK1
SCHEMBL366640 0.68 DGAT2 (0.59) DGAT2RIPK1
SCHEMBL348115 0.62 DGAT2 (0.67) DGAT2
SCHEMBL20166433 0.60 DGAT2 (1.00) DGAT2
SCHEMBL348515 0.58 ELANE (0.44) DGAT2MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL23391855 0.58 RIPK1 (1.00) RIPK1
SCHEMBL1645101 0.58 ALDH1A1 (0.51) MAPTKMT2AMEN1LRRK2UBE2N

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 7 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
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-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
US-20120015052-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2012-01-19 — — US disclosed
WO-2010111060-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME CORP. (US) 2010-09-30 — — 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-20120015052-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 DGAT2 3948/4885RIPK1 1331/4885MAPT 4011/4885

“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.