SCHEMBL12409299

SCHEMBL12409299

C/C=C/c1nc(C2CC2)c2ccccc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ATM Q13315 1/20 0.42
PRKAA2 P54646 1/20 0.40
LCK P06239 1/20 0.39
RXRA P19793 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.38
CYP1A2 P05177 1/20 0.38
HPGD P15428 1/20 0.38
NUDT1 P36639 1/20 0.38
HSD17B10 Q99714 1/20 0.38
POLB P06746 1/20 0.37
PDE5A O76074 1/20 0.37
GPR3 P46089 1/20 0.37

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
SCHEMBL15247428 0.77 RXRA (0.56) TDP1L3MBTL1BCHEACHELMNA
SCHEMBL12409509 0.76 LCK (0.39) TDP1L3MBTL1BCHEACHELMNA
SCHEMBL1772609 0.75 L3MBTL1 (0.53) TDP1L3MBTL1BCHEACHELMNA
SCHEMBL13458250 0.73 PDE5A (0.41) TDP1L3MBTL1ACHELMNAKDM4E
SCHEMBL12408748 0.73 DCPS (0.53) TDP1ACHELMNAKDM4EALDH1A1
SCHEMBL526488 0.72 RXRA (0.68) TDP1L3MBTL1BCHEACHELMNA
SCHEMBL526489 0.72 RXRA (0.68) TDP1L3MBTL1BCHEACHELMNA
SCHEMBL10129907 0.72 RXRA (0.68) TDP1L3MBTL1BCHEACHELMNA
SCHEMBL24930165 0.71 BCHE (0.49) TDP1L3MBTL1BCHEACHELMNA
SCHEMBL1772608 0.71 L3MBTL1 (0.53) TDP1L3MBTL1BCHEACHEKDM4E

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
EP-2342191-B1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORP (JP) 2013-03-20 EP disclosed
US-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-07-07 US disclosed
US-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-07-07 US disclosed
WO-2010030027-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-03-18 WO 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-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE PDE10A, PDE3A, PDE3B TDP1 998/4885L3MBTL1 4808/4885BCHE 2176/4885

“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.