SCHEMBL9888652

SCHEMBL9888652

CC(=O)Nc1cc(-c2nc(-c3ccccc3Cl)c(-c3nc[nH]n3)o2)c(C)cn1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 2/20 0.39
TDP1 Q9NUW8 2/20 0.38
ABL1 P00519 7/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
HPGD P15428 1/20 0.35
RECQL P46063 1/20 0.35
FLT1 P17948 1/20 0.35
FLT4 P35916 1/20 0.35
KDR P35968 1/20 0.35
CNR1 P21554 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
PTK2 Q05397 1/20 0.34
RAB9A P51151 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 0.86 PIK3C3 (0.39) PIK3C3TDP1ABL1SMN1; SMN2HPGD
SCHEMBL627198 0.84 PIK3C3 (0.39) PIK3C3TDP1ABL1SMN1; SMN2CNR1
SCHEMBL16167587 0.83 PIK3C3 (0.40) PIK3C3TDP1ABL1SMN1; SMN2CNR1
SCHEMBL9104878 0.83 JAK1 (0.41) PIK3C3TDP1ABL1SMN1; SMN2HPGD
SCHEMBL626950 0.82 PIK3C3 (0.39) PIK3C3TDP1ABL1SMN1; SMN2MAPT
SCHEMBL9889779 0.82 SMN1; SMN2 (0.40) PIK3C3TDP1ABL1SMN1; SMN2CNR1
SCHEMBL626814 0.81 ABL1 (0.36) PIK3C3ABL1SMN1; SMN2PTK2RAB9A
SCHEMBL626945 0.81 PIK3C3 (0.45) PIK3C3TDP1ABL1SMN1; SMN2FLT1
SCHEMBL626895 0.80 PIK3C3 (0.39) PIK3C3TDP1ABL1SMN1; SMN2PTK2
SCHEMBL626067 0.80 PIK3C3 (0.42) PIK3C3TDP1ABL1SMN1; SMN2CNR1

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 5 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-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.