SCHEMBL10048417

SCHEMBL10048417

CSc1ncc(Nc2ccc(OC(C)C)cc2)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.48
MAPT P10636 5/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
TTBK1 Q5TCY1 1/20 0.44
TTBK2 Q6IQ55 1/20 0.44
PTGIR P43119 1/20 0.42
GLA P06280 1/20 0.41
ADRA2A P08913 1/20 0.39
GPR65 Q8IYL9 1/20 0.39
LMNA P02545 5/20 0.39
TP53 P04637 4/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
PDE9A O76083 2/20 0.38
KDM4E B2RXH2 2/20 0.36
GAA P10253 2/20 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
SCHEMBL18835026 0.82 SYK (0.51) SYKMAPTSMN1; SMN2KMT2ANPC1
SCHEMBL2723103 0.79 GLA (0.57) SYKMAPTSMN1; SMN2KMT2ANPC1
SCHEMBL28805904 0.79 DHFR (0.46) MAPTSMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL12924638 0.77 LMNA (0.36) SYKMAPTSMN1; SMN2KMT2ARAB9A
SCHEMBL10047705 0.75 LMNA (0.52) MAPTSMN1; SMN2RAB9AADRA2AGPR65
SCHEMBL10047696 0.74 LMNA (0.37) SYKMAPTSMN1; SMN2KMT2ARAB9A
SCHEMBL15180683 0.73 KDM4E (0.46) KMT2AALDH1A1L3MBTL1KDM4EP2RX3
SCHEMBL39108 0.72 ALDH1A1 (0.56) SYKMAPTSMN1; SMN2KMT2ANPC1
SCHEMBL24867282 0.71 SYK (0.50) SYKMAPTSMN1; SMN2KMT2ANPC1
SCHEMBL5943059 0.71 GLA (0.49) SYKMAPTSMN1; SMN2KMT2ANPC1

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 11 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-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
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
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 SYK 3993/4885MAPT 4730/4885SMN1; SMN2 4299/4885
US-20130225596-A1 NOVEL HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME (AS AMENDED) P2RX3, P2RX6, P2RX2 SYK 3993/4885MAPT 4730/4885SMN1; SMN2 4299/4885

“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.