SCHEMBL3344595

SCHEMBL3344595

Cc1ccc(-n2cnnc2)cc1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
KMT2A Q03164 5/20 0.45
LMNA P02545 1/20 0.44
CYP1A2 P05177 3/20 0.44
CYP2C9 P11712 3/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C19 P33261 2/20 0.44
GAA P10253 1/20 0.44
MEN1 O00255 3/20 0.43
HTT P42858 1/20 0.43
SIRT3 Q9NTG7 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 1/20 0.41
SMYD3 Q9H7B4 1/20 0.41
ALDH1A1 P00352 3/20 0.40
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
QPCT Q16769 1/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 2/20 0.40

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
SCHEMBL3343037 0.81 PDE4A (0.44) CYP1A2CYP2C9CYP3A4CYP2C19SIRT3
SCHEMBL3342474 0.81 POLB (0.47) L3MBTL1KMT2ALMNAMEN1HTT
SCHEMBL29547863 0.77 KMT2A (0.49) L3MBTL1KMT2ALMNACYP1A2CYP2C9
SCHEMBL24360743 0.77 KMT2A (0.49) L3MBTL1KMT2ALMNACYP1A2CYP2C9
SCHEMBL3346133 0.75 SIRT3 (0.38) KMT2ALMNAMEN1SIRT3TDP1
SCHEMBL3344599 0.74 KMT2A (0.51) L3MBTL1KMT2ACYP1A2CYP2C9CYP3A4
SCHEMBL3343696 0.73 IP6K1 (0.55) L3MBTL1KMT2ALMNAGAAMEN1
SCHEMBL3342457 0.72 LRRK2 (0.47) KMT2ALMNAMEN1SIRT3TDP1
SCHEMBL3340254 0.72 NOTUM (0.44) KMT2AMEN1HTTSIRT3TDP1
SCHEMBL3346206 0.72 KAT6A (0.46) KMT2AMEN1HTTSIRT3TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160384-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 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-20100160384-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX6, P2RX3 L3MBTL1 4189/4885KMT2A 3250/4885LMNA 2330/4885

“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.