SCHEMBL623360

SCHEMBL623360

CC(=O)Nc1cc([Sn](C)(C)C)c(C)cn1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ PTK2 Q05397 1/20 0.44
▸ ABL1 P00519 1/20 0.41
▸ PIK3C3 Q8NEB9 8/20 0.40
▸ CRBN Q96SW2 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ HSP90AB1 P08238 1/20 0.38
▸ MAP4K1 Q92918 1/20 0.37
▸ GCK P35557 1/20 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
SCHEMBL625875 0.88 RAB9A (0.36) L3MBTL1ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL622310 0.81 ABL1 (0.51) ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL8328931 0.80 L3MBTL1 (0.59) L3MBTL1PTK2ABL1PIK3C3CRBN
SCHEMBL624251 0.76 L3MBTL1 (0.53) L3MBTL1PTK2ABL1PIK3C3CRBN
SCHEMBL20772436 0.76 L3MBTL1 (0.53) L3MBTL1PTK2ABL1PIK3C3CRBN
SCHEMBL9890659 0.76 L3MBTL1 (0.53) L3MBTL1PTK2ABL1PIK3C3CRBN
SCHEMBL623368 0.76 L3MBTL1 (0.53) L3MBTL1PTK2ABL1PIK3C3CRBN
SCHEMBL20861632 0.76 L3MBTL1 (0.53) L3MBTL1PTK2ABL1PIK3C3CRBN
SCHEMBL31493083 0.76 PTK2 (0.54) L3MBTL1PTK2ABL1PIK3C3CRBN
SCHEMBL17606874 0.76 PTK2 (0.54) L3MBTL1PTK2ABL1PIK3C3CRBN

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-2793880-A1 HETEROARYLS AND USES THEREOF Millennium Pharmaceuticals, Inc. (US) 2014-10-29 — — EP disclosed
EP-2793879-A1 HETEROARYLS AND USES THEREOF Millennium Pharmaceuticals, Inc. (US) 2014-10-29 — — EP disclosed
US-8859768-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-10-14 — — US disclosed
WO-2013096637-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-20130165483-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 — — US disclosed
EP-2603216-A1 HETEROARYLS AND USES THEREOF Millennium Pharmaceuticals, Inc. (US) 2013-06-19 — — EP disclosed
US-20120142732-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-07 — — US disclosed
WO-2012021615-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 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 (3 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-20130165483-A1 HETEROARYLS AND USES THEREOF PIK3R5, PIK3R4, PIK3C2B L3MBTL1 196/4885PTK2 2769/4885ABL1 711/4885
US-20120142732-A1 HETEROARYLS AND USES THEREOF PIK3R4, PIK3C2B, PIK3R1 L3MBTL1 580/4885PTK2 1187/4885ABL1 652/4885
US-20130165464-A1 HETEROARYLS AND USES THEREOF PIK3C2B, PI4KB, PIK3R4 L3MBTL1 866/4885PTK2 2248/4885ABL1 801/4885

“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.

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