SCHEMBL20915092

SCHEMBL20915092

C(=N/N=C/c1ccc[nH]1)\c1ccc[nH]1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.67
GRIN3B O60391 1/20 0.67
GRIN1 Q05586 1/20 0.67
GRIN2A Q12879 1/20 0.67
GRIN2B Q13224 1/20 0.67
GRIN2C Q14957 1/20 0.67
GRIN3A Q8TCU5 1/20 0.67
MAPT P10636 7/20 0.52
MEN1 O00255 6/20 0.52
KMT2A Q03164 6/20 0.52
GAA P10253 5/20 0.52
LMNA P02545 4/20 0.52
HSD17B10 Q99714 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TSHR P16473 1/20 0.52
HTT P42858 1/20 0.52
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 2/20 0.47
POLB P06746 2/20 0.47
RAB9A P51151 3/20 0.46

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
SCHEMBL20915093 1.00 GRIN2D (0.67) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2446383 0.82
SCHEMBL2919114 0.82
SCHEMBL14671557 0.82
SCHEMBL17264865 0.80
SCHEMBL19841884 0.80
SCHEMBL1672767 0.80
SCHEMBL8991870 0.80
SCHEMBL11820120 0.80
SCHEMBL1672766 0.80

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-20190119305-A1 HIGHLY FLUORESCENT PYRROLE-BF2 CHROMOPHORES THE UNIVERSITY OF AKRON (US) 2019-04-25 US claimed

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-20190119305-A1 HIGHLY FLUORESCENT PYRROLE-BF2 CHROMOPHORES TBCB, LIG3, BBC3 GRIN2D 2698/4885GRIN3B 2324/4885GRIN1 3428/4885

“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.