SCHEMBL4390960

SCHEMBL4390960

Nc1ccnc2c1ccc1c2ccc2c(N)ccnc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.57
NCF1 P14598 2/20 0.48
HSP90AA1 P07900 2/20 0.47
HSP90AB1 P08238 2/20 0.47
IDO1 P14902 1/20 0.47
PSMB5 P28074 1/20 0.47
SOS2 Q07890 1/20 0.47
SLC40A1 Q9NP59 1/20 0.42
CCR1 P32246 3/20 0.42
CCR5 P51681 3/20 0.42
CCR8 P51685 3/20 0.42
MMP14 P50281 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
APAF1 O14727 1/20 0.36
TDP2 O95551 1/20 0.36
MAPT P10636 1/20 0.36
CASP3 P42574 1/20 0.36
KMT2A Q03164 1/20 0.36
SENP8 Q96LD8 1/20 0.36

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
SCHEMBL1071707 0.92 NR4A2 (0.59) NR4A2NCF1HSP90AA1HSP90AB1IDO1
SCHEMBL30913269 0.81 NR4A2 (0.55) NR4A2NCF1HSP90AA1HSP90AB1IDO1
SCHEMBL563282 0.80 NR4A2 (0.41) NR4A2NCF1HSP90AA1HSP90AB1IDO1
SCHEMBL23546584 0.80 NR4A2 (0.44) NR4A2NCF1HSP90AA1HSP90AB1IDO1
SCHEMBL3350823 0.80 NCF1 (0.60) NR4A2NCF1HSP90AA1HSP90AB1IDO1
SCHEMBL10949867 0.78 NR4A2 (0.44) NR4A2NCF1HSP90AA1HSP90AB1IDO1
SCHEMBL30668493 0.78 NR4A2 (0.68) NR4A2NCF1HSP90AA1HSP90AB1IDO1
SCHEMBL6629560 0.78 NR4A2 (0.68) NR4A2NCF1HSP90AA1HSP90AB1IDO1
SCHEMBL16381310 0.77 NR4A2 (0.48) NR4A2NCF1HSP90AA1HSP90AB1IDO1
SCHEMBL3350818 0.77 CCR1 (0.62) NR4A2NCF1HSP90AA1HSP90AB1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2207801-B1 METHODS OF INHIBITING VIRAL INFECTION FUNCTIONAL GENETICS INC (US) 2013-04-17 EP disclosed
US-8207209-B2 Methods of inhibiting viral infection FUNCTIONAL GENETICS, INC. (US) 2012-06-26 US disclosed
US-20090170890-A1 METHOHDS OF INHIBITING VIRAL INFECTION FUNCTIONAL GENETICS, INC. (US) 2009-07-02 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-20090170890-A1 METHOHDS OF INHIBITING VIRAL INFECTION CASP8, CASP1, CASP3 NR4A2 4003/4885NCF1 1050/4885HSP90AA1 2211/4885

“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.