Sugi Predict

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SCHEMBL627057

SCHEMBL627057

CC(=O)Nc1ccc(-c2nc(-c3nncn3COCC[Si](C)(C)C)c(-c3ccccc3Cl)o2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 3/20 0.41
▸ RAB9A P51151 4/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ HPGD P15428 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ GAA P10253 4/20 0.37
▸ MAPT P10636 3/20 0.37
▸ POLB P06746 2/20 0.37
▸ F11 P03951 1/20 0.37
▸ TDP1 Q9NUW8 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ CASP3 P42574 2/20 0.36
▸ SENP7 Q9BQF6 2/20 0.36
▸ MGAM O43451 2/20 0.36
▸ SI P14410 2/20 0.36
▸ MGAM2 Q2M2H8 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35

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
SCHEMBL626939 0.85 PIK3C3 (0.34) MAPTTDP1
SCHEMBL627420 0.81 PIK3C3 (0.33) MAPT
SCHEMBL626741 0.79 P2RX7 (0.35) MAPTALDH1A1
SCHEMBL9888667 0.79 ABL1 (0.42) RAB9ANPC1SMN1; SMN2
SCHEMBL626940 0.77 ALOX5AP (0.33) MAPT
SCHEMBL9888713 0.73 SMO (0.46) SMORAB9ANPC1HPGDRECQL
SCHEMBL626012 0.72 SMO (0.46) SMORAB9ANPC1HPGDRECQL
SCHEMBL15050272 0.67 DGAT1 (0.43) —
SCHEMBL15051315 0.67 DGAT1 (0.33) MAPTTDP1SMN1; SMN2
SCHEMBL15072587 0.66 DGAT1 (0.34) NPC1HPGDF11TDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859768-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-10-14 — — US disclosed
US-8859768-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-10-14 — — US disclosed
US-8859768-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-10-14 — — 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
US-20120142732-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-07 — — US 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
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 SMO 3409/4885RAB9A 109/4885NPC1 91/4885

“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.