SCHEMBL3968978

SCHEMBL3968978

N#CNC(=NCc1ccccc1)Oc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.54
P2RX7 Q99572 4/20 0.46
IMPDH2 P12268 1/20 0.44
CYP1A2 P05177 1/20 0.39
GAA P10253 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
GRIN2B Q13224 5/20 0.38
GRIN1 Q05586 4/20 0.38
GRIN2D O15399 2/20 0.38
GRIN3B O60391 2/20 0.38
GRIN2A Q12879 2/20 0.38
GRIN2C Q14957 2/20 0.38
GRIN3A Q8TCU5 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
NAMPT P43490 5/20 0.38
NOS2 P35228 1/20 0.38

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
SCHEMBL6232888 0.91 KMT2A (0.49) KMT2AP2RX7IMPDH2NAMPT
SCHEMBL2854762 0.83 KMT2A (0.55) KMT2AP2RX7IMPDH2CYP1A2GAA
SCHEMBL2854760 0.83 KMT2A (0.55) KMT2AP2RX7IMPDH2CYP1A2GAA
SCHEMBL10656076 0.77 KMT2A (0.59) KMT2AP2RX7IMPDH2CYP1A2GAA
SCHEMBL10656070 0.77 KMT2A (0.59) KMT2AP2RX7IMPDH2CYP1A2GAA
SCHEMBL3421929 0.77 KMT2A (0.49) KMT2A
SCHEMBL3421930 0.77 KMT2A (0.49) KMT2A
SCHEMBL2087129 0.76 KMT2A (0.80) KMT2AIMPDH2GAACYP2D6GRIN2B
SCHEMBL3402743 0.76 KMT2A (0.80) KMT2AIMPDH2GAACYP2D6GRIN2B
SCHEMBL2087128 0.76 KMT2A (0.80) KMT2AIMPDH2GAACYP2D6GRIN2B

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-7569574-B2 Purine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-08-04 US disclosed
US-20040122228-A1 New purine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-06-24 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-20040122228-A1 New purine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP7, DPP3 KMT2A 4045/4885P2RX7 78/4885IMPDH2 125/4885

“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.