SCHEMBL4910048

SCHEMBL4910048

O=C(Nc1ccc(Nc2ncnc3c2CCC3)cc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 7/20 0.56
EGFR P00533 2/20 0.56
INCENP Q9NQS7 1/20 0.52
AURKA O14965 5/20 0.52
RPS6KB1 P23443 1/20 0.52
TP53 P04637 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
GAA P10253 1/20 0.47
NFKB1 P19838 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
PDE4B Q07343 2/20 0.47
KDR P35968 1/20 0.46
PTPN1 P18031 1/20 0.46
MET P08581 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.45
P4HTM Q9NXG6 1/20 0.45

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
SCHEMBL10960299 0.83 TOP2A (0.50) EGFRTP53SMN1; SMN2GAARAB9A
SCHEMBL10339770 0.83 POLB (0.56) AURKBEGFRPDE4B
Hydrochloric Acid SCHEMBL10958209 0.81 MAPK1 (0.55) AURKBEGFRGAAHTTPDE4B
SCHEMBL15101055 0.80 KMT2A (0.49) EGFRTP53SMN1; SMN2GAARAB9A
SCHEMBL4908957 0.78 PDE4B (0.50) AURKATP53SMN1; SMN2NPC1GAA
SCHEMBL11012199 0.78 RAB9A (0.53) TP53SMN1; SMN2NPC1RAB9APDE4B
SCHEMBL15101054 0.76 MKNK1 (0.50) AURKBEGFRAURKAPDE4BIRAK4
SCHEMBL10956616 0.74 EGFR (0.56) EGFRSMN1; SMN2NPC1GAAHTT
SCHEMBL10955880 0.74 MKNK1 (0.54) EGFRSMN1; SMN2GAAHTTKDR
SCHEMBL10960189 0.74 MKNK1 (0.54) GAAHTTKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080113946-A1 N-aryl-5,7-dihydrofuro[3,4-d]pyrimidin-4-amines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYNTOVIA, INC. (US) 2008-05-15 US claimed
US-20080113946-A1 N-aryl-5,7-dihydrofuro[3,4-d]pyrimidin-4-amines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYNTOVIA, INC. (US) 2008-05-15 US disclosed
US-20080113946-A1 N-aryl-5,7-dihydrofuro[3,4-d]pyrimidin-4-amines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYNTOVIA, INC. (US) 2008-05-15 US disclosed
US-20080113946-A1 N-aryl-5,7-dihydrofuro[3,4-d]pyrimidin-4-amines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYNTOVIA, INC. (US) 2008-05-15 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-20080113946-A1 N-aryl-5,7-dihydrofuro[3,4-d]pyrimidin-4-amines and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP7, API5, CASP5 AURKB 267/4885EGFR 2294/4885INCENP 3698/4885

“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.