SCHEMBL19514550

SCHEMBL19514550

O=C(c1ccc(Br)nc1)c1ccccn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.61
▸ HSD17B14 Q9BPX1 1/20 0.51
▸ TLR7 Q9NYK1 2/20 0.49
▸ CES2 O00748 1/20 0.48
▸ CES1 P23141 1/20 0.48
▸ L3MBTL1 Q9Y468 3/20 0.47
▸ LMNA P02545 1/20 0.47
▸ NAPRT Q6XQN6 1/20 0.47
▸ P4HTM Q9NXG6 1/20 0.47
▸ MAPT P10636 3/20 0.47
▸ GSK3B P49841 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ GAA P10253 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ CASP3 P42574 1/20 0.43
▸ SENP8 Q96LD8 1/20 0.43
▸ SENP7 Q9BQF6 1/20 0.43
▸ SENP6 Q9GZR1 1/20 0.43
▸ GRM4 Q14833 1/20 0.42

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
SCHEMBL1156133 0.81 KMT2A (0.72) KMT2AHSD17B14TLR7CES2CES1
SCHEMBL12844484 0.80 KMT2A (0.61) KMT2AHSD17B14TLR7CES2CES1
SCHEMBL5973043 0.80 RXFP1 (0.44) LMNANAPRTP4HTMMAPTALDH1A1
SCHEMBL1884484 0.80 KMT2A (0.56) KMT2AHSD17B14CES2CES1LMNA
SCHEMBL10633423 0.79 ALDH1A1 (0.54) KMT2AL3MBTL1LMNAMAPTALDH1A1
SCHEMBL12775476 0.76 KMT2A (0.56) KMT2AHSD17B14TLR7CES2CES1
SCHEMBL12141971 0.76 KMT2A (0.56) KMT2AHSD17B14TLR7CES2CES1
SCHEMBL12844277 0.76 KMT2A (0.56) KMT2AHSD17B14TLR7CES2CES1
SCHEMBL398165 0.76 KMT2A (1.00) KMT2AHSD17B14CES2CES1L3MBTL1
SCHEMBL29373829 0.76 KMT2A (1.00) KMT2AHSD17B14CES2CES1L3MBTL1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9853221-B2 Compound, emitting layer of organic light emitting diode and organic light emitting diode device NATIONAL TSING HUA UNIVERSITY (TW) 2017-12-26 — — US disclosed
US-9853221-B2 Compound, emitting layer of organic light emitting diode and organic light emitting diode device NATIONAL TSING HUA UNIVERSITY (TW) 2017-12-26 — — US disclosed
US-9853221-B2 Compound, emitting layer of organic light emitting diode and organic light emitting diode device NATIONAL TSING HUA UNIVERSITY (TW) 2017-12-26 — — US disclosed
US-20170317292-A1 COMPOUND, EMITTING LAYER OF ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DIODE DEVICE NATIONAL TSING HUA UNIVERSITY (TW) 2017-11-02 — — US disclosed
US-20170317292-A1 COMPOUND, EMITTING LAYER OF ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DIODE DEVICE NATIONAL TSING HUA UNIVERSITY (TW) 2017-11-02 — — US disclosed
US-20170317292-A1 COMPOUND, EMITTING LAYER OF ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DIODE DEVICE NATIONAL TSING HUA UNIVERSITY (TW) 2017-11-02 — — 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-20170317292-A1 COMPOUND, EMITTING LAYER OF ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DIODE DEVICE ALDH1A2, DDT, AOX1 KMT2A 2258/4885HSD17B14 627/4885TLR7 3691/4885

“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.

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