SCHEMBL19661682

SCHEMBL19661682

CCCCCCCC(CCCCCCC)Sc1ncnc2c1ncn2C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.49
TSHR P16473 2/20 0.49
ADORA2A P29274 2/20 0.42
ADORA1 P30542 1/20 0.42
ADA P00813 4/20 0.42
PDE2A O00408 3/20 0.42
CYP3A4 P08684 2/20 0.42
ALDH1A1 P00352 2/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALOX15 P16050 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HIF1A Q16665 1/20 0.42
LMNA P02545 1/20 0.41
BLM P54132 1/20 0.41
YTHDC1 Q96MU7 1/20 0.40

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
SCHEMBL19661552 0.78 ADORA2A (0.38) CYP1A2TSHRADORA2AADAPDE2A
SCHEMBL13922352 0.71 YTHDC1 (0.51) CYP1A2TSHRADORA2AADORA1ADA
SCHEMBL18548581 0.67 TLR8 (0.38) ALDH1A1SMN1; SMN2
SCHEMBL22458651 0.66 YTHDC1 (0.51) CYP1A2ADORA2AADORA1CYP3A4ALDH1A1
SCHEMBL20857258 0.65 YTHDC1 (0.50) CYP1A2TSHRADORA2AADORA1CYP3A4
SCHEMBL9443829 0.65 CYP1A2 (0.46) CYP1A2TSHRADORA2AADAPDE2A
SCHEMBL12843997 0.65 ADORA1 (0.56) CYP1A2TSHRADORA2AADORA1CYP3A4
SCHEMBL4734999 0.64 ADORA1 (0.60) CYP1A2ADORA2AADORA1CYP3A4YTHDC1
SCHEMBL21755915 0.63 CYP2C9 (0.33)
SCHEMBL24971291 0.63 ADA (0.71) CYP1A2TSHRADORA2AADORA1ADA

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 3429/4885TSHR 3873/4885ADORA2A 3432/4885
US-10695349-B2 Inhibitors of human phosphatidylinositol 3-kinase delta PIK3CD, PIK3CA, PIK3CG CYP1A2 3429/4885TSHR 3873/4885ADORA2A 3432/4885
US-10010550-B2 Inhibitors of human phosphatidylinositol 3-kinase delta PIK3CD, PIK3CA, PIK3CG CYP1A2 3429/4885TSHR 3873/4885ADORA2A 3432/4885

“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.