SCHEMBL9890604

SCHEMBL9890604

CC(=O)Nc1cc(-c2cc(-c3nnc[nH]3)c(N3CCCS3(=O)=O)o2)c(C)cn1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 18/20 0.45
HTR1A P08908 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1F P30939 1/20 0.35
CDC7 O00311 1/20 0.32
DBF4 Q9UBU7 1/20 0.32

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
SCHEMBL9107117 0.82 PIK3C3 (0.45) PIK3C3HTR1AHTR1DHTR1FCDC7
SCHEMBL622929 0.79 ROCK2 (0.34) PIK3C3HTR1AHTR1DHTR1F
SCHEMBL9107106 0.75 PIK3C3 (0.38) PIK3C3HTR1AHTR1DHTR1FCDC7
SCHEMBL9889941 0.73 PIK3C3 (0.36) PIK3C3
SCHEMBL9104256 0.72 PIK3C3 (0.40) PIK3C3
SCHEMBL9890493 0.72 WDR5 (0.36)
SCHEMBL9108830 0.72 KDM4E (0.36) PIK3C3
SCHEMBL9888610 0.68 S1PR4 (0.38) PIK3C3
SCHEMBL9108495 0.65 PIK3C3 (0.35) PIK3C3HTR1AHTR1DHTR1F
SCHEMBL15072386 0.65 PIK3C3 (0.38) PIK3C3

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 2 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

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 52/4885HTR1A 1126/4885HTR1D 1447/4885

“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.