SCHEMBL625875

SCHEMBL625875

Cc1cnc(NC(=O)O)cc1[Sn](C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.36
▸ MAPT P10636 2/20 0.36
▸ NNMT P40261 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ GCK P35557 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ NPC1 O15118 5/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ PKM P14618 2/20 0.33
▸ CNR2 P34972 2/20 0.33
▸ NOTUM Q6P988 1/20 0.33
▸ MAP3K5 Q99683 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TP53 P04637 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
SCHEMBL623360 0.88 L3MBTL1 (0.50) RAB9AL3MBTL1GCKNPC1SMN1; SMN2
SCHEMBL622310 0.83 ABL1 (0.51) RAB9ANPC1SMN1; SMN2ABL1
SCHEMBL3466797 0.80 NNMT (0.44) RAB9AMAPTNNMTL3MBTL1GCK
SCHEMBL9108295 0.75 RAB9A (0.38) RAB9AMAPTNNMTL3MBTL1GCK
SCHEMBL5908548 0.71 HCRTR1 (0.42) RAB9ANNMTGCKMEN1KMT2A
SCHEMBL3466637 0.71 MTOR (0.43) RAB9AMAPTNNMTL3MBTL1GCK
SCHEMBL19920905 0.70 NNMT (0.51) RAB9AMAPTNNMTL3MBTL1MEN1
SCHEMBL3106680 0.69 RAB9A (0.42) RAB9AMAPTGCKMEN1KMT2A
SCHEMBL624923 0.67 NNMT (0.32) NNMT
SCHEMBL8328931 0.67 L3MBTL1 (0.59) RAB9AMAPTNNMTL3MBTL1GCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20120142732-A1 HETEROARYLS AND USES THEREOF PIK3R4, PIK3C2B, PIK3R1 RAB9A 109/4885MAPT 4237/4885NNMT 4441/4885

“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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