SCHEMBL5796531

SCHEMBL5796531

NCc1ccc2ncn(CCc3ccccc3)c2c1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.66
PKM P14618 1/20 0.51
KMT2A Q03164 2/20 0.48
TDP1 Q9NUW8 1/20 0.46
CYP11B1 P15538 3/20 0.45
CYP11B2 P19099 3/20 0.45
TNF P01375 1/20 0.45
CNOT7 Q9UIV1 1/20 0.45
LTA4H P09960 2/20 0.45
ADORA2A P29274 1/20 0.44
EGLN3 Q9H6Z9 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
BRD4 O60885 1/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 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
SCHEMBL13993870 0.81 HTT (0.68) HTTPKMKMT2ATDP1CYP11B1
SCHEMBL784573 0.80 HTT (1.00) HTTPKMKMT2ATDP1CYP11B1
SCHEMBL6780614 0.79 HTT (0.52) HTTPKMKMT2ATDP1CNOT7
SCHEMBL5794463 0.78 HTT (0.62) HTTPKMKMT2ATDP1CYP11B1
SCHEMBL19553517 0.77 POLB (0.40) HTTKMT2ATDP1CYP11B1CYP11B2
SCHEMBL2847738 0.76 PKM (0.81) HTTPKMKMT2A
SCHEMBL13996621 0.76 HTT (0.59) HTTPKMKMT2ATDP1CYP11B1
SCHEMBL2542851 0.75 PRKCI (0.52) HTTPKMCYP11B1CYP11B2TNF
SCHEMBL13994052 0.75 HTT (0.58) HTTPKMKMT2ATDP1CYP11B1
SCHEMBL1608562 0.74 HTT (0.57) HTTPKMKMT2ACNOT7

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-1615636-A1 BICYCLIC COMPOUNDS AS NR2B RECEPTOR ANTAGONISTS PFIZER INC. (US) 2006-01-18 EP disclosed
WO-2004089366-A1 BICYCLIC COMPOUNDS AS NR2B RECEPTOR ANTAGONISTS PFIZER JAPAN, INC. (JP) 2004-10-21 WO disclosed
US-20040204409-A1 Bicyclic compounds as NR2B receptor antagonists ANDO KAZUO (JP) 2004-10-14 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-20040204409-A1 Bicyclic compounds as NR2B receptor antagonists GRIN1, GRIN2B, GRIN2A HTT 1311/4885PKM 4131/4885KMT2A 507/4885

“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.