SCHEMBL18935649

SCHEMBL18935649

COc1c(C(C)N=N)cc(Cl)c(C)c1Br

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30

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
SCHEMBL19571047 0.81 PDE2A (0.41)
SCHEMBL14736533 0.81 CA2 (0.33) CA2CA4
SCHEMBL9929298 0.80 PDE2A (0.33) CA2CA4
SCHEMBL9928957 0.80 LMNA (0.37) CA2CA4
Hydrochloric Acid SCHEMBL9929353 0.78 LMNA (0.36) CA2CA4
SCHEMBL21517191 0.77 CA2 (0.31) CA2CA4
SCHEMBL9928990 0.73 NCOA1 (0.32) CA2CA4
SCHEMBL20816035 0.72 HSD17B10 (0.35)
SCHEMBL9952471 0.72 HSD17B10 (0.35)
SCHEMBL9952276 0.71 ALDH1A1 (0.33)

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-20170158696-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE CORPORATION 2017-06-08 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-20170158696-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PI4KB CA2 4854/4885CA4 4865/4885

“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.