SCHEMBL986597

SCHEMBL986597

CC(C)c1nc2cc(N)cnc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ABL1 P00519 1/20 0.32
RET P07949 1/20 0.32
KDR P35968 1/20 0.32
CDK7 P50613 1/20 0.32
CDK5 Q00535 1/20 0.32
PRKAA1 Q13131 1/20 0.32
AURKB Q96GD4 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.31
ELANE P08246 1/20 0.31
GSK3B P49841 1/20 0.30
PARG Q86W56 1/20 0.30
MAPKAPK2 P49137 1/20 0.30
RPS6KA3 P51812 1/20 0.30
CSNK2A1 P68400 1/20 0.30
PLK3 Q9H4B4 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
SCHEMBL21730457 0.81 KDM4E (0.41) KDM4ELMNAHSD17B10ABL1RET
SCHEMBL12309256 0.81 KDM4E (0.41) KDM4ELMNAHSD17B10ABL1RET
SCHEMBL12309248 0.79 LMNA (0.40) KDM4ELMNAHSD17B10ABL1RET
SCHEMBL986294 0.77 ALDH1A1 (0.37) KDM4EABL1RETKDRCDK7
SCHEMBL12309284 0.76 PDE2A (0.38) KDM4ELMNAHSD17B10SCN10AGSK3B
SCHEMBL12938120 0.75 KDM4E (0.48) KDM4ELMNAHSD17B10SCN10AGSK3B
SCHEMBL4737718 0.75 KDM4E (0.39) KDM4ELMNAHSD17B10GSK3B
SCHEMBL25377896 0.74 KDM4E (0.38) KDM4ELMNAHSD17B10
SCHEMBL988470 0.72 L3MBTL1 (0.37) KDM4EABL1RETKDRCDK7
SCHEMBL984487 0.72 GAA (0.41) KDM4EABL1RETKDRCDK7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2265609-B1 IMDIZO [4. 5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS ARRAY BIOPHARMA INC (US) 2012-09-05 EP disclosed
US-20110003809-A1 IMIDAZO [4,5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS ARRAY BIOPHARMA INC. 2011-01-06 US disclosed
EP-2265609-A1 IMDIZO [4. 5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS Array Biopharma, Inc. (US) 2010-12-29 EP disclosed
WO-2009111277-A9 IMIDAZO [4. 5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-12-30 WO disclosed
WO-2009111277-A1 IMDIZO [4. 5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-09-11 WO 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-20110003809-A1 IMIDAZO [4,5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS BRAF, RAF1, ARAF KDM4E 2145/4885LMNA 2465/4885HSD17B10 3467/4885

“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.