SCHEMBL17853624

SCHEMBL17853624

c1ccc(-c2nc(-c3ccc(-c4ccncn4)cc3)cc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.40
▸ MAPT P10636 5/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ HPGD P15428 3/20 0.40
▸ NTSR1 P30989 1/20 0.40
▸ MAPK13 O15264 2/20 0.38
▸ MAPK12 P53778 2/20 0.38
▸ MAPK11 Q15759 2/20 0.38
▸ MAPK14 Q16539 2/20 0.38
▸ RAF1 P04049 1/20 0.38
▸ MAPK9 P45984 1/20 0.38
▸ NPSR1 Q6W5P4 3/20 0.38
▸ PTK2B Q14289 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ CYP2C9 P11712 1/20 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
SCHEMBL17853504 0.93 KMT2A (0.42) KMT2AMAPTMEN1ALDH1A1HPGD
SCHEMBL17853628 0.91 MAPK13 (0.37) KMT2AMAPTMEN1ALDH1A1HPGD
SCHEMBL17853636 0.89 KMT2A (0.42) KMT2AMAPTMEN1ALDH1A1HPGD
SCHEMBL17853622 0.88 KMT2A (0.43) KMT2AMAPTMEN1ALDH1A1HPGD
SCHEMBL19397662 0.88 KMT2A (0.43) KMT2AMAPTMEN1ALDH1A1HPGD
SCHEMBL19397660 0.88 KMT2A (0.43) KMT2AMAPTMEN1ALDH1A1HPGD
SCHEMBL30460308 0.88 KDM4E (0.42) MAPTMAPK13MAPK12MAPK11MAPK14
SCHEMBL29028558 0.88 KDM4E (0.42) MAPTMAPK13MAPK12MAPK11MAPK14
SCHEMBL17853625 0.87 DHODH (0.44) KMT2AMAPTMEN1ALDH1A1HPGD
SCHEMBL17853640 0.87 KMT2A (0.44) KMT2AMAPTMEN1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160181564-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 — — US disclosed
US-20160181564-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 — — 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-20160181564-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE LEF1, PIEZO1, SLC39A11 KMT2A 1111/4885MAPT 2833/4885MEN1 353/4885

“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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