SCHEMBL626067

SCHEMBL626067

CC(=O)Nc1cc(-c2nc(-c3ccccc3Cl)c(C(N)=O)o2)c(C)cn1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
IKBKB O14920 1/20 0.40
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
ABL1 P00519 7/20 0.39
CNR1 P21554 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CNR2 P34972 1/20 0.38
PTK2 Q05397 1/20 0.38
DHODH Q02127 1/20 0.37

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
SCHEMBL626945 0.91 PIK3C3 (0.45) PIK3C3TDP1ALDH1A1KDM4EMEN1
SCHEMBL626529 0.84 IKBKB (0.47) PIK3C3TDP1IKBKBALDH1A1KDM4E
SCHEMBL9888734 0.82 AGPAT2 (0.42) TDP1IKBKBHSD17B10ALDH1A1KDM4E
SCHEMBL9104878 0.82 JAK1 (0.41) PIK3C3TDP1ALDH1A1KDM4EHTT
SCHEMBL9889779 0.81 SMN1; SMN2 (0.40) PIK3C3TDP1ALDH1A1KDM4EMEN1
SCHEMBL9888724 0.81 KDM4E (0.38) PIK3C3ALDH1A1KDM4EABL1CNR2
SCHEMBL16167587 0.81 PIK3C3 (0.40) PIK3C3TDP1ABL1CNR1SMN1; SMN2
SCHEMBL627354 0.80 PIK3C3 (0.43) PIK3C3TDP1IKBKBALDH1A1KDM4E
SCHEMBL9110703 0.80 PIK3C3 (0.39) PIK3C3TDP1MAPTABL1CNR1
SCHEMBL9888652 0.80 PIK3C3 (0.39) PIK3C3TDP1MAPTABL1CNR1

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
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

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 860/4885IKBKB 289/4885

“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.