SCHEMBL9108437

SCHEMBL9108437

CNC(=O)c1nc(-c2cc(NC(C)=O)ncc2C)oc1-c1ccccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 3/20 0.42
TDP1 Q9NUW8 2/20 0.39
ABL1 P00519 6/20 0.38
IKBKB O14920 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
PTK2 Q05397 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
PAK1 Q13153 1/20 0.37
RAB9A P51151 1/20 0.36
IL2 P60568 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DEGS1 O15121 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
SCHEMBL627354 0.91 PIK3C3 (0.43) PIK3C3TDP1ABL1IKBKBJAK2
SCHEMBL9104246 0.91 HSP90AB1 (0.46) PIK3C3TDP1ABL1KDM4EMEN1
SCHEMBL626066 0.90 PIK3C3 (0.45) PIK3C3TDP1ABL1IKBKBPTK2
SCHEMBL9888623 0.90 TSHR (0.41) PIK3C3TDP1ABL1IKBKBJAK2
SCHEMBL626529 0.89 IKBKB (0.47) PIK3C3TDP1ABL1IKBKBPTK2
SCHEMBL626595 0.89 PIK3C3 (0.42) PIK3C3TDP1ABL1IKBKBPTK2
SCHEMBL9109069 0.88 PIK3C3 (0.41) PIK3C3TDP1ABL1IKBKBPTK2
SCHEMBL9109647 0.87 MAPT (0.43) PIK3C3KDM4EALDH1A1MAPTHTT
SCHEMBL9105422 0.87 SMN1; SMN2 (0.40) PIK3C3TDP1JAK2JAK1TYK2
SCHEMBL9106485 0.87 PIK3C3 (0.38) PIK3C3TDP1ABL1IKBKBKDM4E

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 6 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
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

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 PIK3C3 52/4885TDP1 860/4885ABL1 652/4885

“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.