SCHEMBL15050831

SCHEMBL15050831

C[Si](C)(C)CCOCn1cnc(-c2cn(-c3ccnc(Cl)c3)nc2-c2ccccc2Cl)n1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL15050992 0.86 SMN1; SMN2 (0.35) MAPTSMN1; SMN2
SCHEMBL15050812 0.83 P2RX7 (0.34) ALDH1A1MAPTSMN1; SMN2L3MBTL1KDM4E
SCHEMBL15051190 0.74 TYK2 (0.31)
SCHEMBL15051049 0.72 KDM4E (0.36) ALDH1A1MAPTSMN1; SMN2L3MBTL1KDM4E
SCHEMBL15050774 0.68 KDM4E (0.34) ALDH1A1MAPTSMN1; SMN2L3MBTL1KDM4E
SCHEMBL15051508 0.67 SCN9A (0.37) ALDH1A1MAPTSMN1; SMN2L3MBTL1KDM4E
SCHEMBL15051559 0.67 AKT1 (0.36) ALDH1A1MAPTSMN1; SMN2L3MBTL1KDM4E
SCHEMBL15050751 0.67 KCNA5 (0.34) ALDH1A1MAPTSMN1; SMN2L3MBTL1KDM4E
SCHEMBL15050849 0.67 KLKB1 (0.34)
SCHEMBL15051300 0.67 MAPT (0.51) ALDH1A1MAPTL3MBTL1KDM4EMEN1

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
EP-2793880-A1 HETEROARYLS AND USES THEREOF Millennium Pharmaceuticals, Inc. (US) 2014-10-29 EP disclosed
WO-2013096630-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 WO disclosed
WO-2013096630-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 WO disclosed
US-20130165464-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 US disclosed
US-20130165464-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 US disclosed
US-20130165464-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 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-20130165464-A1 HETEROARYLS AND USES THEREOF PIK3C2B, PI4KB, PIK3R4 ALDH1A1 2884/4885MAPT 4398/4885SMN1; SMN2 3783/4885

“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.