SCHEMBL681842

SCHEMBL681842

Nc1ncnc2c1c(I)nn2Cc1nc2ccccc2nc1N1CCCC1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 7/20 0.67
PIK3CD O00329 7/20 0.66
PIK3C2B O00750 6/20 0.52
MAPT P10636 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NUDT1 P36639 1/20 0.45
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
GFER P55789 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL680909 0.85 PIK3CD (0.84) PIK3CGPIK3CDPIK3C2B
SCHEMBL682016 0.81 PIK3CG (0.53) PIK3CGPIK3CDPIK3C2BMAPK1
SCHEMBL681738 0.80 PIK3CG (1.00) PIK3CGPIK3CDPIK3C2B
SCHEMBL682384 0.80 PIK3CD (1.00) PIK3CGPIK3CDPIK3C2B
SCHEMBL682467 0.79 PIK3CD (0.56) PIK3CGPIK3CDPIK3C2BALDH1A1MAPK1
SCHEMBL681736 0.78 PIK3CG (1.00) PIK3CGPIK3CDPIK3C2B
SCHEMBL15892701 0.78 PIK3CG (0.71) PIK3CGPIK3CDPIK3C2B
SCHEMBL681698 0.77 PIK3CD (1.00) PIK3CGPIK3CDPIK3C2B
SCHEMBL15895177 0.75 PIK3CG (0.49) PIK3CGPIK3CDPIK3C2BMAPTKDM4E
SCHEMBL681863 0.74 PIK3CD (0.54) PIK3CGPIK3CDPIK3C2BMAPT

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 9 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
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 PIK3CG 191/4885PIK3CD 147/4885PIK3C2B 132/4885
US-20140206685-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K13, MAP3K3, CDK3 PIK3CG 191/4885PIK3CD 147/4885PIK3C2B 132/4885
US-20110281866-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K13, MAP3K3, CDK3 PIK3CG 191/4885PIK3CD 147/4885PIK3C2B 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.