SCHEMBL10048217

SCHEMBL10048217

CSc1nc(=O)c(Cc2ccccc2)cn1Cc1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 14/20 0.56
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
P2RX3 P56373 1/20 0.41
P2RX7 Q99572 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX12 P18054 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL15215743 0.84 PLA2G7 (0.47) PLA2G7LMNAHTTP2RX3P2RX7
SCHEMBL7010596 0.77 PLA2G7 (0.62) PLA2G7
SCHEMBL18835021 0.77 BRD4 (0.42) PLA2G7LMNAHTTP2RX3P2RX7
SCHEMBL19906966 0.75 P2RX7 (0.59) PLA2G7KMT2ALMNAP2RX7MEN1
SCHEMBL7007962 0.75 PLA2G7 (0.64) PLA2G7
SCHEMBL7011403 0.75 PLA2G7 (0.77) PLA2G7
SCHEMBL7005490 0.74 PLA2G7 (0.59) PLA2G7
SCHEMBL7011004 0.74 PLA2G7 (0.77) PLA2G7
SCHEMBL7009387 0.73 PLA2G7 (0.55) PLA2G7
SCHEMBL7010111 0.73 PLA2G7 (0.64) PLA2G7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2604260-B1 NOVEL HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION CONTAINING SAME SHIONOGI & CO (JP) 2017-05-10 EP disclosed
EP-2604260-B1 NOVEL HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION CONTAINING SAME SHIONOGI & CO (JP) 2017-05-10 EP disclosed
US-20160052892-A1 NOVEL HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME (AS AMENDED) SHIONOGI & CO (JP) 2016-02-25 US disclosed
US-9212130-B2 Heterocyclic derivative and pharmaceutical composition comprising the same SHIONOGI & CO., LTD. (JP) 2015-12-15 US disclosed
US-9212130-B2 Heterocyclic derivative and pharmaceutical composition comprising the same SHIONOGI & CO., LTD. (JP) 2015-12-15 US disclosed
US-20130225596-A1 NOVEL HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME (AS AMENDED) SHIONOGI & CO., LTD. (JP) 2013-08-29 US disclosed
EP-2604260-A1 NOVEL HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION CONTAINING SAME Shionogi&Co., Ltd. (JP) 2013-06-19 EP disclosed
EP-2604260-A1 NOVEL HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION CONTAINING SAME Shionogi&Co., Ltd. (JP) 2013-06-19 EP disclosed
CN-103140221-A Novel heterocyclic derivatives and pharmaceutical composition containing same SHIONOGI & CO 2013-06-05 CN disclosed
WO-2012020742-A1 NOVEL HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION CONTAINING SAME 塩野義製薬株式会社 (JP) 2012-02-16 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 (2 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-20160052892-A1 NOVEL HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME (AS AMENDED) P2RX3, P2RX6, P2RX2 PLA2G7 1138/4885KMT2A 4002/4885LMNA 2851/4885
US-20130225596-A1 NOVEL HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME (AS AMENDED) P2RX3, P2RX6, P2RX2 PLA2G7 1138/4885KMT2A 4002/4885LMNA 2851/4885

“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.