SCHEMBL12844192

SCHEMBL12844192

Cc1nc2cnc(C(C)(C)C)nc2[nH]1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
PARP1 P09874 2/20 0.30
ALDH1A1 P00352 1/20 0.30
TNKS2 Q9H2K2 1/20 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
SCHEMBL12844321 0.84 MAPT (0.40) KDM4EPOLBMAPTHPGDPARP1
SCHEMBL25451172 0.80 FABP6 (0.34) KDM4EHPGDALDH1A1
SCHEMBL12775769 0.77 KDM4E (0.36) KDM4E
SCHEMBL9797808 0.76 PDK2 (0.40) KDM4EPOLBMAPTHPGDPARP1
SCHEMBL8525361 0.73 TYMS (0.32) PARP1ALDH1A1TNKS2
SCHEMBL19678267 0.73 ABL1 (0.36) KDM4EPOLBMAPTHPGDALDH1A1
SCHEMBL13216944 0.73 SCN10A (0.31)
SCHEMBL5021590 0.72 PDPK1 (0.33) KDM4EHPGDALDH1A1
SCHEMBL12599032 0.70 SMN1; SMN2 (0.33) PARP1ALDH1A1TNKS2
SCHEMBL13377819 0.70 PARP1 (0.30) PARP1ALDH1A1TNKS2

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-20110059976-A1 PYRIDO PYRIMIDINONES, DIHYDRO PYRIMIDO PYRIMIDINONES AND PTERIDINONES USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. 2011-03-10 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-20110059976-A1 PYRIDO PYRIMIDINONES, DIHYDRO PYRIMIDO PYRIMIDINONES AND PTERIDINONES USEFUL AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF KDM4E 1905/4885POLB 1446/4885MAPT 3486/4885

“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.