SCHEMBL12569887

SCHEMBL12569887

CNC(=N)c1ncccn1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.38
POLB P06746 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PLK1 P53350 1/20 0.31
TOP2A P11388 2/20 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
SCHEMBL641370 0.77 P2RX7 (0.39) P2RX7
SCHEMBL16791178 0.76 P2RX7 (0.35) P2RX7
SCHEMBL9883093 0.75 P2RX7 (0.38) P2RX7
SCHEMBL6450016 0.75 P2RX7 (0.54) P2RX7
SCHEMBL7309773 0.75 P2RX7 (0.34) P2RX7
SCHEMBL6428553 0.73 ALDH1A1 (0.50) TOP2A
SCHEMBL15588816 0.71 P2RX7 (0.40) P2RX7
SCHEMBL14026712 0.70
SCHEMBL2363536 0.70 P2RX7 (0.60) P2RX7POLBTDP1PLK1
SCHEMBL1688461 0.70 P2RX7 (0.38) P2RX7TDP1

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-7960562-B2 Propane-1,3-dione derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-06-14 US disclosed
US-7960562-B2 Propane-1,3-dione derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-06-14 US disclosed
US-20090181964-A1 Propane-1,3-Dione Derivative or Salt Thereof ASTELLAS PHARMA INC. 2009-07-16 US disclosed
US-20090181964-A1 Propane-1,3-Dione Derivative or Salt Thereof ASTELLAS PHARMA INC. 2009-07-16 US disclosed
US-20080260633-A1 Having light absorbing metal cores, electron accumulator ligand and catalytically active metal; when exposured to radiant energy; forming charge transfer compounds; reduction of water to hydrogen VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. 2008-10-23 US disclosed
EP-1864976-A1 PROPANE-1,3-DION DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2007-12-12 EP 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-20090181964-A1 Propane-1,3-Dione Derivative or Salt Thereof GNRHR, KISS1R, FSHR P2RX7 2031/4885POLB 4073/4885TDP1 3230/4885

“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.