SCHEMBL808107

SCHEMBL808107

Cc1nc2cnc3ccc(-c4cnc(N)c(C(F)(F)F)c4)nc3c2n1C1CCNCC1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.51
MTOR P42345 10/20 0.51
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
MAP3K12 Q12852 6/20 0.43
MAP4K3 Q8IVH8 1/20 0.40
PIK3CD O00329 1/20 0.40
CLK1 P49759 1/20 0.39
CDK9 P50750 1/20 0.39
DYRK1A Q13627 1/20 0.39
DYRK2 Q92630 1/20 0.39

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
SCHEMBL808111 0.89 MTOR (0.51) PIK3CAMTORJAK2JAK1MAP3K12
SCHEMBL15123601 0.85 PIK3CA (0.46) PIK3CAMTORPIK3CD
SCHEMBL17243668 0.85 MAP3K12 (0.47) PIK3CAMTORJAK1MAP3K12
SCHEMBL10070234 0.85 MTOR (0.44) PIK3CAMTORJAK2JAK1MAP3K12
SCHEMBL808273 0.85 MTOR (0.53) PIK3CAMTORJAK1
SCHEMBL15131778 0.84 PIK3CA (0.45) PIK3CAMTORMAP3K12MAP4K3
SCHEMBL10070215 0.83 MTOR (0.54) PIK3CAMTORPIK3CD
SCHEMBL15133594 0.83 MAP3K12 (0.52) PIK3CAMTORMAP3K12
SCHEMBL10070217 0.83 PIK3CA (0.55) PIK3CAMTORPIK3CD
SCHEMBL10070235 0.83 PIK3CA (0.44) PIK3CAMTORMAP3K12PIK3CD

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-9181264-B2 Fused heteroaryls and their uses HUTCHISON MEDIPHARMA LIMITED (CN) 2015-11-10 US disclosed
US-9181264-B2 Fused heteroaryls and their uses HUTCHISON MEDIPHARMA LIMITED (CN) 2015-11-10 US disclosed
US-20130190307-A1 FUSED HETEROARYLS AND THEIR USES HUTCHISON MEDIPHARMA LIMITED (CN) 2013-07-25 US disclosed
US-20130190307-A1 FUSED HETEROARYLS AND THEIR USES HUTCHISON MEDIPHARMA LIMITED (CN) 2013-07-25 US disclosed
WO-2012034526-A1 FUSED HETEROARYLS AND THEIR USES HUTCHISON MEDIPHARMA LIMITED (CN) 2012-03-22 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-20130190307-A1 FUSED HETEROARYLS AND THEIR USES FARS2, TIAL1, DHFR PIK3CA 1962/4885MTOR 4193/4885JAK2 3254/4885

“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.