SCHEMBL9889779

SCHEMBL9889779

CC(=O)Nc1cc(-c2nc(-c3ccccc3Cl)c(-c3ncco3)o2)c(C)cn1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
PIK3C3 Q8NEB9 7/20 0.40
TDP1 Q9NUW8 1/20 0.39
EPAS1 Q99814 1/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
ABL1 P00519 4/20 0.37
LIMK1 P53667 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
AURKA O14965 1/20 0.35
AURKB Q96GD4 1/20 0.35
CNR1 P21554 1/20 0.35

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
SCHEMBL9107251 0.93 PIK3C3 (0.40) SMN1; SMN2PIK3C3TDP1EPAS1JAK2
SCHEMBL9104878 0.86 JAK1 (0.41) SMN1; SMN2PIK3C3TDP1JAK1TYK2
SCHEMBL16167587 0.85 PIK3C3 (0.40) SMN1; SMN2PIK3C3TDP1EPAS1JAK2
SCHEMBL10182299 0.84 PIK3C3 (0.41) SMN1; SMN2PIK3C3TDP1EPAS1JAK2
SCHEMBL627198 0.82 PIK3C3 (0.39) SMN1; SMN2PIK3C3TDP1EPAS1JAK2
SCHEMBL9110703 0.82 PIK3C3 (0.39) SMN1; SMN2PIK3C3TDP1ABL1MAPT
SCHEMBL9888652 0.82 PIK3C3 (0.39) SMN1; SMN2PIK3C3TDP1ABL1MAPT
SCHEMBL626945 0.82 PIK3C3 (0.45) SMN1; SMN2PIK3C3TDP1ABL1KDM4E
SCHEMBL626067 0.81 PIK3C3 (0.42) SMN1; SMN2PIK3C3TDP1ABL1KDM4E
SCHEMBL627354 0.81 PIK3C3 (0.43) PIK3C3TDP1JAK2JAK1TYK2

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 3 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-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 SMN1; SMN2 4275/4885PIK3C3 52/4885TDP1 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.