SCHEMBL624929

SCHEMBL624929

CCOC(=O)c1coc(-c2cc(NC(C)=O)ncc2C)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
STAT1 P42224 1/20 0.39
KMT2A Q03164 3/20 0.38
ABL1 P00519 1/20 0.38
PIK3C3 Q8NEB9 3/20 0.37
MAPT P10636 2/20 0.37
KDR P35968 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NAMPT P43490 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.36
GLA P06280 1/20 0.36
SLC2A1 P11166 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
SCHEMBL624919 0.78 PIK3C3 (0.38) ALOX15SMN1; SMN2PIK3C3MAPTL3MBTL1
SCHEMBL626666 0.74 KDM4E (0.39) ALOX15SMN1; SMN2RAB9ANPC1STAT1
SCHEMBL6935872 0.71 JMJD6 (0.51) SMN1; SMN2RAB9ANPC1STAT1KMT2A
SCHEMBL382018 0.70 CA12 (0.53) SMN1; SMN2RAB9ANPC1KMT2AMAPT
SCHEMBL8328931 0.68 L3MBTL1 (0.59) SMN1; SMN2RAB9ANPC1ABL1PIK3C3
SCHEMBL624719 0.68 PIK3C3 (0.40) KMT2AABL1PIK3C3MAPTL3MBTL1
SCHEMBL3937264 0.67 LMNA (0.53) ALOX15SMN1; SMN2RAB9ANPC1STAT1
SCHEMBL8626938 0.67 CA12 (0.50) SMN1; SMN2RAB9ANPC1KMT2AMAPT
SCHEMBL624291 0.67 NNMT (0.40) KMT2AABL1PIK3C3L3MBTL1MEN1
SCHEMBL9371320 0.66 CA12 (0.49) SMN1; SMN2RAB9ANPC1KMT2AMAPT

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 7 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
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
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 ALOX15 2226/4885SMN1; SMN2 4275/4885RAB9A 109/4885

“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.