SCHEMBL681723

SCHEMBL681723

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

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 5/20 0.64
PIK3CG P48736 1/20 0.46
PIK3C2B O00750 3/20 0.43
HRH4 Q9H3N8 7/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR3A P46098 2/20 0.38
HTR6 P50406 1/20 0.38
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37

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
SCHEMBL681727 0.92 PIK3CD (0.75) PIK3CDPIK3CGPIK3C2BKMT2A
SCHEMBL681729 0.88 PIK3CD (0.66) PIK3CDPIK3CGPIK3C2BHRH4MEN1
SCHEMBL681929 0.83 PIK3CD (0.49) PIK3CDPIK3CGPIK3C2BHRH4HTR3A
SCHEMBL682004 0.80 PIK3CD (0.76) PIK3CDPIK3CG
SCHEMBL18034165 0.78 PIK3CD (0.51) PIK3CDPIK3C2BHRH4MEN1POLB
SCHEMBL680984 0.78 PIK3CG (0.73) PIK3CDPIK3CG
SCHEMBL4569364 0.77 JAK2 (0.40) PIK3CDPIK3CGHRH4
SCHEMBL4569372 0.77 JAK2 (0.39) PIK3CDHRH4KMT2A
SCHEMBL13064809 0.77 JAK2 (0.39) PIK3CDHRH4KMT2A
SCHEMBL3700003 0.76 PIK3CD (0.41) PIK3CDPIK3CGHRH4

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 10 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

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 147/4885PIK3CG 191/4885PIK3C2B 132/4885
US-20140206685-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K13, MAP3K3, CDK3 PIK3CD 147/4885PIK3CG 191/4885PIK3C2B 132/4885
US-20110281866-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K13, MAP3K3, CDK3 PIK3CD 147/4885PIK3CG 191/4885PIK3C2B 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.