SCHEMBL31298083

SCHEMBL31298083

O=C1NCc2cncnc2-c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.51
CA9 Q16790 1/20 0.51
MKNK2 Q9HBH9 6/20 0.45
MKNK1 Q9BUB5 2/20 0.45
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
GABRA5 P31644 2/20 0.42
PARP1 P09874 3/20 0.41
TYRO3 Q06418 1/20 0.40
NTRK2 Q16620 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
TBK1 Q9UHD2 1/20 0.38
PDPK1 O15530 1/20 0.38
PARP10 Q53GL7 1/20 0.38
PARP11 Q9NR21 1/20 0.38
GRM5 P41594 1/20 0.37

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
SCHEMBL3634104 0.81 MKNK2 (0.40) CA12CA9MKNK2MKNK1PARP1
SCHEMBL29620435 0.81 MKNK2 (0.40) CA12CA9MKNK2MKNK1PARP1
SCHEMBL31297991 0.78 KMT2A (0.44) MKNK2MKNK1
SCHEMBL2016705 0.76 CA12 (0.56) CA12CA9MKNK2MKNK1PARP1
SCHEMBL31297999 0.75 MKNK2 (0.40) MKNK2MKNK1GABRG2GABRB3GABRA5
SCHEMBL24061489 0.71 CA12 (0.42) CA12CA9MKNK2MKNK1GABRG2
SCHEMBL22891154 0.70 GABRG2 (0.52) GABRG2GABRB3GABRA5CLK4DYRK1B
SCHEMBL3918073 0.70 CA12 (0.83) CA12CA9PARP1TYRO3NTRK2
SCHEMBL1185539 0.70 KDR (0.56) GABRG2GABRB3GABRA5
SCHEMBL14896 0.69 CA12 (1.00) CA12CA9PARP1TYRO3NTRK2

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-20250043353-A1 BIOMARKERS OF RESPONSE TO SELECTIVE INHIBITORS OF AURORA A KINASE MILLENNIUM PHARM INC (US) 2025-02-06 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-20250043353-A1 BIOMARKERS OF RESPONSE TO SELECTIVE INHIBITORS OF AURORA A KINASE WNT1, XPOT, CTNNBL1 CA12 3668/4885CA9 4289/4885MKNK2 85/4885

“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.