SCHEMBL19662016

SCHEMBL19662016

CCCCCCCC(CCCCCCC)n1cnc2c(N(C)C)ncnc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 1/20 0.50
MAPK1 P28482 1/20 0.50
ADA P00813 4/20 0.49
PDE2A O00408 3/20 0.49
CYP3A4 P08684 2/20 0.49
PDE4A P27815 1/20 0.49
PDE4B Q07343 1/20 0.49
PDE4C Q08493 1/20 0.49
PDE4D Q08499 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
ALOX15 P16050 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TSHR P16473 1/20 0.49
HIF1A Q16665 1/20 0.49
LMNA P02545 1/20 0.48
BLM P54132 1/20 0.48
CCNB2 O95067 1/20 0.44

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
SCHEMBL20711362 0.97 CYP1A2 (0.48) CYP1A2CYP2D6MAPK1ADAPDE2A
SCHEMBL11899703 0.84 ADA (0.71) CYP1A2ADAPDE2ACYP3A4PDE4A
Hydrochloric Acid SCHEMBL11900209 0.83 PDE2A (0.72) CYP1A2ADAPDE2ACYP3A4PDE4A
SCHEMBL20467837 0.81 ADA (0.71) CYP1A2ADAPDE2ACYP3A4PDE4A
SCHEMBL21311453 0.81 ADA (0.51) CYP1A2ADAPDE2ACYP3A4PDE4A
SCHEMBL24971291 0.81 ADA (0.71) CYP1A2ADAPDE2ACYP3A4PDE4A
SCHEMBL21945758 0.81 ADA (0.71) CYP1A2ADAPDE2ACYP3A4PDE4A
SCHEMBL19503049 0.81 ADA (0.71) CYP1A2ADAPDE2ACYP3A4PDE4A
SCHEMBL22106688 0.81 ADA (0.71) CYP1A2ADAPDE2ACYP3A4PDE4A
SCHEMBL21473256 0.80 ADA (0.69) CYP1A2ADAPDE2ACYP3A4PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10695349-B2 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2020-06-30 US disclosed
US-10010550-B2 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2018-07-03 US disclosed
US-20170340633-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION 2017-11-30 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-20170340633-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PIK3CG CYP1A2 3429/4885CYP2D6 4308/4885MAPK1 154/4885
US-10695349-B2 Inhibitors of human phosphatidylinositol 3-kinase delta PIK3CD, PIK3CA, PIK3CG CYP1A2 3429/4885CYP2D6 4308/4885MAPK1 154/4885
US-10010550-B2 Inhibitors of human phosphatidylinositol 3-kinase delta PIK3CD, PIK3CA, PIK3CG CYP1A2 3429/4885CYP2D6 4308/4885MAPK1 154/4885

“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.