SCHEMBL18128902

SCHEMBL18128902

O=C(c1cncnc1)c1cn(-c2ccccc2O)nn1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 1/20 0.55
CA1 P00915 8/20 0.44
CA2 P00918 8/20 0.44
CA4 P22748 8/20 0.44
CA9 Q16790 8/20 0.44
ESRRA P11474 8/20 0.43

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
SCHEMBL18128900 0.87 KCNMA1 (0.56) KCNMA1CA1CA2CA4CA9
SCHEMBL18128901 0.86 KCNMA1 (0.71) KCNMA1CA1CA2CA4CA9
SCHEMBL18128897 0.79 KCNMA1 (0.47) KCNMA1CA1CA2CA4CA9
SCHEMBL18128905 0.79 KCNMA1 (0.53) KCNMA1CA1CA2CA4CA9
SCHEMBL2820052 0.78 KCNMA1 (0.53) KCNMA1CA1CA2CA4CA9
SCHEMBL18128898 0.77 CA1 (0.60) KCNMA1CA1CA2CA4CA9
SCHEMBL18128903 0.75 CA1 (0.60) KCNMA1CA1CA2CA4CA9
SCHEMBL16118277 0.71 KCNMA1 (0.73) KCNMA1CA1CA2CA4CA9
SCHEMBL16118288 0.71 KCNMA1 (0.81) KCNMA1CA1CA2CA4CA9
SCHEMBL16118314 0.71 KCNMA1 (1.00) KCNMA1CA1CA2CA4CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9701646-B2 Small molecule inhibitors of PI3-kinase signaling TUFTS UNIVERSITY (US) 2017-07-11 US disclosed
US-20160297777-A1 SMALL MOLECULE INHIBITORS OF PI3-KINASE SIGNALING NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-10-13 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-20160297777-A1 SMALL MOLECULE INHIBITORS OF PI3-KINASE SIGNALING PIK3R5, PIK3R3, PIK3R4 KCNMA1 1031/4885CA1 3696/4885CA2 1685/4885

“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.