SCHEMBL17077243

SCHEMBL17077243

O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1)c1ccncc1

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 13/20 0.75
MAPT P10636 5/20 0.58
SMN1; SMN2 Q16637 2/20 0.57
TP53 P04637 1/20 0.57
CRACR2A Q9BSW2 1/20 0.56
POLB P06746 1/20 0.54
THRB P10828 1/20 0.51

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
SCHEMBL982210 0.88 PDPK1 (0.78) PDPK1MAPT
SCHEMBL980502 0.88 PDPK1 (0.78) PDPK1MAPT
SCHEMBL978868 0.86 PDPK1 (1.00) PDPK1MAPTSMN1; SMN2TP53
SCHEMBL981939 0.85 PDPK1 (0.77) PDPK1MAPTSMN1; SMN2TP53POLB
SCHEMBL978943 0.84 PDPK1 (0.85) PDPK1MAPTSMN1; SMN2TP53
Ar-12 SCHEMBL570472 0.84 PDPK1 (1.00) PDPK1MAPTSMN1; SMN2TP53THRB
Ar-12 SCHEMBL30099806 0.84 PDPK1 (1.00) PDPK1MAPTSMN1; SMN2TP53THRB
SCHEMBL5674265 0.81 PDPK1 (1.00) PDPK1
SCHEMBL12213581 0.81 PDPK1 (0.73) PDPK1
SCHEMBL13608762 0.81 PDPK1 (0.81) PDPK1MAPTSMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9457031-B2 Antibacterial protein kinase inhibitors OHIO STATE INNOVATION FOUNDATION 2016-10-04 US disclosed
US-9457031-B2 Antibacterial protein kinase inhibitors OHIO STATE INNOVATION FOUNDATION 2016-10-04 US disclosed
US-9457031-B2 Antibacterial protein kinase inhibitors OHIO STATE INNOVATION FOUNDATION 2016-10-04 US disclosed
US-20150258100-A1 ANTIBACTERIAL PROTEIN KINASE INHIBITORS OHIO STATE INNOVATION FOUNDATION 2015-09-17 US disclosed
US-20150258100-A1 ANTIBACTERIAL PROTEIN KINASE INHIBITORS OHIO STATE INNOVATION FOUNDATION 2015-09-17 US disclosed
US-20150258100-A1 ANTIBACTERIAL PROTEIN KINASE INHIBITORS OHIO STATE INNOVATION FOUNDATION 2015-09-17 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-20150258100-A1 ANTIBACTERIAL PROTEIN KINASE INHIBITORS DMPK, MYLK3, MYLK2 PDPK1 110/4885MAPT 2537/4885SMN1; SMN2 3549/4885

“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.