SCHEMBL20176857

SCHEMBL20176857

CCn1c(-c2ccc(C)nc2)nc2c(Cl)ccnc21

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.41
ADORA3 P0DMS8 2/20 0.40
ADORA2A P29274 2/20 0.40
ADORA2B P29275 2/20 0.40
ADORA1 P30542 2/20 0.40
PIK3CD O00329 11/20 0.38
PDE4B Q07343 2/20 0.37
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
TLR7 Q9NYK1 1/20 0.35

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
SCHEMBL18359503 0.86 PIK3CD (0.46) ADORA3ADORA2AADORA2BADORA1PIK3CD
SCHEMBL18359407 0.84 PIK3CD (0.52) ADORA3ADORA2AADORA2BADORA1PIK3CD
SCHEMBL17933382 0.82 ADORA3 (0.49) ADORA3ADORA2AADORA2BADORA1PIK3CD
SCHEMBL20163948 0.73 HTR6 (0.33) ADORA3ADORA2AADORA2BADORA1PDE4B
SCHEMBL15720069 0.67 PIK3CD (0.54) ADORA3ADORA2AADORA2BADORA1PIK3CD
SCHEMBL4754879 0.65 HTR6 (0.40) PDE4B
SCHEMBL11357015 0.64 SMN1; SMN2 (0.47)
SCHEMBL7881518 0.64 ADORA3 (0.48) GRM5ADORA3ADORA2AADORA2BADORA1
SCHEMBL22438726 0.63 DCTPP1 (0.54)
SCHEMBL4068273 0.63 ADORA3 (0.71) ADORA3ADORA2AADORA2BADORA1PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180141947-A1 Purine Inhibitors of Human Phosphatidylinositol 3-Kinase Delta MERCK SHARP & DOHME CORP. (US) 2018-05-24 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 (1 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-20180141947-A1 Purine Inhibitors of Human Phosphatidylinositol 3-Kinase Delta PIK3CD, PIK3CA, PI4KA GRM5 3104/4885ADORA3 29/4885ADORA2A 84/4885

“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.