SCHEMBL6313476

SCHEMBL6313476

Nc1nc(Nc2ccc3[nH]ncc3c2)ncc1-c1ccc2ncccc2c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.46
CDC7 O00311 2/20 0.45
GRM4 Q14833 1/20 0.45
KDR P35968 7/20 0.44
EGFR P00533 1/20 0.44
SMO Q99835 1/20 0.44
CLK2 P49760 1/20 0.43
CLK3 P49761 1/20 0.43
DYRK1A Q13627 1/20 0.43
WEE1 P30291 1/20 0.43
PTK2 Q05397 1/20 0.43
PTK2B Q14289 1/20 0.43
TLR8 Q9NR97 1/20 0.43
TLR7 Q9NYK1 1/20 0.43
SYK P43405 1/20 0.42

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
SCHEMBL6319726 0.92 CDC7 (0.45) MAPKAPK2CDC7GRM4KDREGFR
SCHEMBL6321411 0.89 NPC1 (0.49) GRM4EGFRCLK2CLK3DYRK1A
SCHEMBL6313590 0.89 CDC7 (0.47) MAPKAPK2CDC7KDREGFRCLK2
SCHEMBL6315305 0.84 DYRK1A (0.45) GRM4EGFRCLK2CLK3DYRK1A
SCHEMBL6312020 0.83 SYK (0.47) GRM4EGFRCLK2CLK3DYRK1A
SCHEMBL6311247 0.83 CDK1 (0.50) CLK2CLK3DYRK1ASYK
SCHEMBL6311534 0.82 NPC1 (0.46) GRM4KDREGFRCLK2CLK3
SCHEMBL6312651 0.81 CDC7 (0.47) MAPKAPK2CDC7KDREGFRCLK2
SCHEMBL6314056 0.79 IGF1R (0.52) KDRCLK2CLK3DYRK1APTK2
SCHEMBL6319822 0.78 IGF1R (0.50) KDRCLK2CLK3DYRK1ASYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6939874-B2 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. (US) 2005-09-06 US disclosed
US-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. 2004-04-01 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-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use DPYD, TYMP, TPMT MAPKAPK2 4269/4885CDC7 2635/4885GRM4 3124/4885

“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.