SCHEMBL16196246

SCHEMBL16196246

NCCC(=O)Nc1ccc(-n2nc(CO)cc2-c2ccc3c(ccc4ccccc43)c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 8/20 0.66
PDPK1 O15530 9/20 0.65
CA1 P00915 7/20 0.54
CA2 P00918 7/20 0.54
HTR6 P50406 2/20 0.43
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42

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
SCHEMBL16196163 0.95 CA9 (0.59) CA9PDPK1CA1CA2HTR6
SCHEMBL16196229 0.93 PDPK1 (0.74) CA9PDPK1CA1CA2
SCHEMBL16196243 0.89 PDPK1 (0.67) CA9PDPK1CA1CA2
SCHEMBL16196303 0.83 CA9 (0.55) CA9PDPK1CA1CA2
SCHEMBL16200829 0.83 PDPK1 (0.59) CA9PDPK1HTR6ADORA3ADORA2A
SCHEMBL12054881 0.81 PDPK1 (0.75) CA9PDPK1
SCHEMBL16196304 0.80 PDPK1 (0.80) PDPK1
SCHEMBL16195916 0.80 PDPK1 (0.56) CA9PDPK1HTR6ADORA3ADORA2A
Ar-12 SCHEMBL570472 0.79 PDPK1 (1.00) CA9PDPK1
Ar-12 SCHEMBL30099806 0.79 PDPK1 (1.00) CA9PDPK1

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-9156790-B2 Anticancer P21-activated kinase inhibitors OHIO STATE INNOVATION FOUNDATION (US) 2015-10-13 US disclosed
US-20140323538-A1 ANTICANCER P21-ACTIVATED KINASE INHIBITORS OHIO STATE INNOVATION FOUNDATION (US) 2014-10-30 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 (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-20140323538-A1 ANTICANCER P21-ACTIVATED KINASE INHIBITORS CDKN1A, CDK2, CDK3 CA9 1244/4885PDPK1 286/4885CA1 2164/4885

“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.