Sugi Predict

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SCHEMBL626012

SCHEMBL626012

CC(=O)Nc1ccc(-c2nc(-c3nc[nH]n3)c(-c3ccccc3Cl)o2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 3/20 0.46
▸ RAB9A P51151 5/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ NPC1 O15118 4/20 0.45
▸ IDO1 P14902 1/20 0.43
▸ POLB P06746 3/20 0.42
▸ CASP3 P42574 2/20 0.42
▸ SENP7 Q9BQF6 2/20 0.42
▸ HPGD P15428 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ GAA P10253 4/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ CEPT1 Q9Y6K0 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ MAPT P10636 2/20 0.40
▸ MGAM O43451 2/20 0.40
▸ SI P14410 2/20 0.40
▸ MGAM2 Q2M2H8 2/20 0.40
▸ ATR Q13535 1/20 0.39

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
SCHEMBL9888713 0.81 SMO (0.46) SMORAB9ATDP1NPC1IDO1
SCHEMBL9888652 0.73 PIK3C3 (0.39) RAB9ATDP1HPGDRECQLMAPT
SCHEMBL626420 0.72 NR4A2 (0.36) RAB9ATDP1NPC1IDO1POLB
SCHEMBL627057 0.72 SMO (0.41) SMORAB9ATDP1NPC1POLB
SCHEMBL626950 0.66 PIK3C3 (0.39) TDP1MAPTPIM1CSNK2A2CSNK2B
SCHEMBL9488910 0.66 NR4A2 (0.49) RAB9ANPC1CASP3SENP7HPGD
SCHEMBL7693588 0.65 KDM4E (0.65) SMORAB9ATDP1NPC1POLB
SCHEMBL1528053 0.64 LDHA (0.52) RAB9ATDP1NPC1IDO1POLB
SCHEMBL7703233 0.64 KDM4E (0.73) SMORAB9ANPC1POLBCASP3
SCHEMBL7694070 0.64 KDM4E (0.73) SMORAB9ANPC1POLBCASP3

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 109/4885TDP1 860/4885

“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.