SCHEMBL626950

SCHEMBL626950

CC(=O)Nc1cc(-c2nc(-c3cc[nH]n3)c(-c3ccccc3Cl)o2)c(C)cn1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 2/20 0.39
ABL1 P00519 9/20 0.37
TDP1 Q9NUW8 1/20 0.36
AGPAT2 O15120 1/20 0.35
PIM1 P11309 1/20 0.35
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
PIM3 Q86V86 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
MAPT P10636 1/20 0.34
PTK2 Q05397 1/20 0.34
NR4A2 P43354 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL9110703 0.93 PIK3C3 (0.39) PIK3C3ABL1TDP1ADORA3MAPT
SCHEMBL9890637 0.85 PIK3C3 (0.41) PIK3C3ABL1TDP1ADORA3MAPT
SCHEMBL9888652 0.82 PIK3C3 (0.39) PIK3C3ABL1TDP1MAPTPTK2
SCHEMBL9107251 0.82 PIK3C3 (0.40) PIK3C3ABL1TDP1MAPTNR4A2
SCHEMBL626895 0.82 PIK3C3 (0.39) PIK3C3ABL1TDP1PIM1CSNK2A2
SCHEMBL16167587 0.81 PIK3C3 (0.40) PIK3C3ABL1TDP1PIM1CSNK2A2
SCHEMBL627354 0.81 PIK3C3 (0.43) PIK3C3ABL1TDP1AGPAT2MAPT
SCHEMBL9104878 0.81 JAK1 (0.41) PIK3C3ABL1TDP1SMN1; SMN2
SCHEMBL626595 0.81 PIK3C3 (0.42) PIK3C3ABL1TDP1AGPAT2MAPT
SCHEMBL9108094 0.81 PIK3C3 (0.41) PIK3C3ABL1TDP1MAPTNR4A2

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 PIK3C3 52/4885ABL1 652/4885TDP1 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.