Sugi Predict

Sugi Predict / Compounds / SCHEMBL626666

SCHEMBL626666

SCHEMBL626666

CCOC(=O)c1oc(-c2cc(NC(C)=O)ncc2C)nc1I

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.39
▸ ALOX15 P16050 1/20 0.38
▸ GLA P06280 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ PIK3C3 Q8NEB9 3/20 0.36
▸ MAPK8 P45983 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CDK1 P06493 2/20 0.35
▸ CDK4 P11802 2/20 0.35
▸ CCNE1 P24864 2/20 0.35
▸ CDK2 P24941 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ STAT1 P42224 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ ADORA3 P0DMS8 2/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ PTK2 Q05397 1/20 0.34

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
SCHEMBL626417 0.87 PIK3C3 (0.39) KDM4EABL1PIK3C3SMN1; SMN2NPC1
SCHEMBL626235 0.86 ABL1 (0.37) KDM4EABL1PIK3C3L3MBTL1PTK2
SCHEMBL9888662 0.81 KDM4E (0.38) KDM4EALOX15GLAALDH1A1HPGD
SCHEMBL626814 0.77 ABL1 (0.36) ABL1PIK3C3SMN1; SMN2NPC1RAB9A
SCHEMBL624929 0.74 ALOX15 (0.40) ALOX15GLAABL1PIK3C3SMN1; SMN2
SCHEMBL624919 0.73 PIK3C3 (0.38) KDM4EALOX15PIK3C3ALDH1A1HPGD
SCHEMBL626227 0.72 DGAT1 (0.31) ABL1
SCHEMBL10183162 0.70 PIK3C3 (0.33) ABL1PIK3C3PTK2
SCHEMBL15051243 0.70 ALDH1A1 (0.36) KDM4EALOX15ALDH1A1HPGDSMN1; SMN2
SCHEMBL626945 0.70 PIK3C3 (0.45) KDM4EABL1PIK3C3ALDH1A1SMN1; SMN2

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 KDM4E 2506/4885ALOX15 2226/4885GLA 1612/4885

“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.