SCHEMBL9890637

SCHEMBL9890637

CC(=O)Nc1cc(-c2cc(-c3cc[nH]n3)c(-c3ccccc3Cl)o2)c(C)cn1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 3/20 0.41
ABL1 P00519 7/20 0.37
LIMK1 P53667 1/20 0.37
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
RAB9A P51151 1/20 0.35
NUDT1 P36639 1/20 0.34
LMNA P02545 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 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
SCHEMBL626950 0.85 PIK3C3 (0.39) PIK3C3ABL1MAPTTDP1ADORA3
SCHEMBL9110703 0.83 PIK3C3 (0.39) PIK3C3ABL1MAPTTDP1ADORA3
SCHEMBL9890033 0.82 PIK3C3 (0.44) PIK3C3ABL1LIMK1KDM4EMEN1
SCHEMBL9104256 0.82 PIK3C3 (0.40) PIK3C3ABL1LIMK1KDM4EMEN1
SCHEMBL16167732 0.82 PIK3C3 (0.41) PIK3C3ABL1LIMK1KDM4EMEN1
SCHEMBL16167580 0.82 PIK3C3 (0.41) PIK3C3ABL1LIMK1KDM4EMEN1
SCHEMBL9108874 0.82 PIK3C3 (0.46) PIK3C3ABL1LIMK1KDM4EMEN1
SCHEMBL10182299 0.81 PIK3C3 (0.41) PIK3C3ABL1LIMK1KDM4EMEN1
SCHEMBL9107473 0.81 PIK3C3 (0.43) PIK3C3ABL1LIMK1KDM4EMEN1
SCHEMBL9108275 0.80 PIK3C3 (0.42) PIK3C3ABL1LIMK1KDM4EMEN1

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 52/4885ABL1 652/4885LIMK1 3058/4885

“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.