SCHEMBL22995352

SCHEMBL22995352

N#CCc1cc(C(C#N)c2nc3ccccc3[nH]2)nc(CC#N)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
GAA P10253 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
ALDH1A1 P00352 2/20 0.40
IDO1 P14902 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 6/20 0.39
MEN1 O00255 4/20 0.39
KDM4E B2RXH2 3/20 0.39
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TP53 P04637 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
EGFR P00533 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
TAAR1 Q96RJ0 1/20 0.37
HTT P42858 3/20 0.37
ALPL P05186 3/20 0.37
ALPI P09923 2/20 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
SCHEMBL22995353 0.83
SCHEMBL22995233 0.75
SCHEMBL22995235 0.74
SCHEMBL22995206 0.74 ALDH1A1 (0.56) MAPTGAANPSR1ALDH1A1IDO1
SCHEMBL11334176 0.68 ALDH1A1 (0.59) MAPTGAANPSR1ALDH1A1IDO1
SCHEMBL22995217 0.67 ALDH1A1 (0.47) MAPTGAANPSR1ALDH1A1IDO1
SCHEMBL11323906 0.66 ALDH1A1 (0.58) MAPTGAANPSR1ALDH1A1IDO1
SCHEMBL11161228 0.66 ALDH1A1 (0.43) MAPTGAANPSR1ALDH1A1IDO1
SCHEMBL11320932 0.65 ALDH1A1 (0.56) MAPTGAANPSR1ALDH1A1IDO1
SCHEMBL3678234 0.65 MEN1 (0.39) MAPTALDH1A1KMT2AMEN1KDM4E

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 MAPT 387/4885GAA 1723/4885NPSR1 3848/4885

“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.