SCHEMBL22995206

SCHEMBL22995206

N#CC(c1nc(C(C#N)c2nc3ccccc3[nH]2)nc(C(C#N)c2nc3ccccc3[nH]2)n1)c1nc2ccccc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
IDO1 P14902 1/20 0.56
POLB P06746 1/20 0.56
GAA P10253 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
MAPT P10636 1/20 0.51
KDM4E B2RXH2 4/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
LMNA P02545 2/20 0.47
HSD17B10 Q99714 2/20 0.47
NPC1 O15118 2/20 0.47
TP53 P04637 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
TAAR1 Q96RJ0 1/20 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
SCHEMBL22995217 0.91 ALDH1A1 (0.47) ALDH1A1IDO1POLBGAANPSR1
SCHEMBL11334176 0.82 ALDH1A1 (0.59) ALDH1A1IDO1POLBGAANPSR1
SCHEMBL22995430 0.82 ALDH1A1 (0.40) ALDH1A1IDO1POLBGAANPSR1
SCHEMBL11323906 0.81 ALDH1A1 (0.58) ALDH1A1IDO1POLBGAANPSR1
SCHEMBL11320932 0.79 ALDH1A1 (0.56) ALDH1A1IDO1POLBGAANPSR1
SCHEMBL11161228 0.77 ALDH1A1 (0.43) ALDH1A1IDO1POLBGAANPSR1
SCHEMBL5800499 0.76 ALDH1A1 (0.51) ALDH1A1IDO1POLBGAANPSR1
SCHEMBL22995352 0.74 MAPT (0.41) ALDH1A1IDO1POLBGAANPSR1
SCHEMBL9214713 0.74 ALDH1A1 (0.68) ALDH1A1IDO1POLBGAANPSR1
SCHEMBL11338511 0.73 ALDH1A1 (0.49) ALDH1A1IDO1POLBGAANPSR1

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-20210050527-A1 ORGANIC COMPOUND, AND ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DISPLAY DEVICE INCLUDING THE SAME P&H TECH (KR) 2021-02-18 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-20210050527-A1 ORGANIC COMPOUND, AND ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DISPLAY DEVICE INCLUDING THE SAME OCIAD1, OCIAD2, AOX1 ALDH1A1 90/4885IDO1 836/4885POLB 1720/4885

“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.