SCHEMBL681729

SCHEMBL681729

CCC(Nc1ncnc2[nH]cnc12)c1cc2ccccc2nc1N1CCN(C)CC1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 6/20 0.66
HRH4 Q9H3N8 5/20 0.41
PIK3C2B O00750 2/20 0.40
PIK3CG P48736 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
HTR3A P46098 1/20 0.36
HTR6 P50406 1/20 0.36

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
SCHEMBL682004 0.93 PIK3CD (0.76) PIK3CDPIK3CGALDH1A1HPGD
SCHEMBL681723 0.88 PIK3CD (0.64) PIK3CDHRH4PIK3C2BPIK3CGMEN1
SCHEMBL18034165 0.81 PIK3CD (0.51) PIK3CDHRH4PIK3C2BALDH1A1TP53
SCHEMBL681929 0.81 PIK3CD (0.49) PIK3CDHRH4PIK3C2BPIK3CGHTR3A
SCHEMBL681727 0.81 PIK3CD (0.75) PIK3CDPIK3C2BPIK3CGALDH1A1GAA
SCHEMBL681832 0.79 PIK3CG (0.56) PIK3CDPIK3CG
SCHEMBL15870126 0.77 PIK3CD (0.52) PIK3CDHRH4ALDH1A1MEN1POLB
SCHEMBL15865468 0.73 PIK3CD (0.57) PIK3CDHRH4ALDH1A1MEN1POLB
SCHEMBL19465059 0.72 PIK3CD (0.47) PIK3CDHRH4MEN1POLBKMT2A
SCHEMBL15865086 0.72 PIK3CD (0.47) PIK3CDHRH4ALDH1A1TP53GAA

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9790228-B2 Heterocyclic kinase inhibitors INTELLIKINE LLC (US) 2017-10-17 US disclosed
US-9790228-B2 Heterocyclic kinase inhibitors INTELLIKINE LLC (US) 2017-10-17 US disclosed
EP-2346508-B1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE LLC (US) 2016-08-24 EP disclosed
US-20160168157-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE LLC 2016-06-16 US disclosed
US-20160168157-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE LLC 2016-06-16 US disclosed
US-9296742-B2 Heterocyclic kinase inhibitors INTELLIKINE LLC (US) 2016-03-29 US disclosed
US-9296742-B2 Heterocyclic kinase inhibitors INTELLIKINE LLC (US) 2016-03-29 US disclosed
US-20140206685-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE LLC (US) 2014-07-24 US disclosed
US-20140206685-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE LLC (US) 2014-07-24 US disclosed
US-20110281866-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE, INC. (US) 2011-11-17 US disclosed
US-20110281866-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE, INC. (US) 2011-11-17 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 (3 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-20160168157-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K13, MAP3K3, CDK3 PIK3CD 147/4885HRH4 2178/4885PIK3C2B 132/4885
US-20140206685-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K13, MAP3K3, CDK3 PIK3CD 147/4885HRH4 2178/4885PIK3C2B 132/4885
US-20110281866-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K13, MAP3K3, CDK3 PIK3CD 147/4885HRH4 2178/4885PIK3C2B 132/4885

“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.