SCHEMBL17563633

SCHEMBL17563633

CC1(C)c2cc(-c3nccc(-c4ccccc4)n3)ccc2-c2cc3c4ccccc4c4ccccc4c3cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 9/20 0.40
▸ MEN1 O00255 8/20 0.40
▸ MAPT P10636 6/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ POLB P06746 2/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ GABRA1 P14867 1/20 0.39
▸ GABRG2 P18507 1/20 0.39
▸ GABRB3 P28472 1/20 0.39
▸ GABRA5 P31644 1/20 0.39
▸ GABRA3 P34903 1/20 0.39
▸ PTK2B Q14289 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ AURKA O14965 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ PRKACA P17612 1/20 0.37
▸ ADORA2A P29274 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
SCHEMBL17563643 0.94 KMT2A (0.39) KMT2AMEN1MAPTKDM4ENPC1
SCHEMBL17427009 0.87 KMT2A (0.41) KMT2AMEN1MAPTKDM4ENPC1
SCHEMBL17563619 0.87 MEN1 (0.46) KMT2AMEN1MAPTKDM4ESMN1; SMN2
SCHEMBL16940931 0.85 MEN1 (0.44) KMT2AMEN1MAPTKDM4ENPC1
SCHEMBL17563639 0.84 KMT2A (0.38) KMT2AMEN1MAPTKDM4ENPC1
SCHEMBL17206460 0.84 MEN1 (0.44) KMT2AMEN1MAPTKDM4EPOLB
SCHEMBL17206462 0.82 MEN1 (0.41) KMT2AMEN1MAPTKDM4ESMN1; SMN2
SCHEMBL29488230 0.82 MEN1 (0.38) KMT2AMEN1MAPTKDM4EL3MBTL1
SCHEMBL16940927 0.82 MEN1 (0.38) KMT2AMEN1MAPTKDM4EL3MBTL1
SCHEMBL17563623 0.82 ACACA (0.39) KMT2AMEN1MAPTKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10032990-B2 Organic composition, and organic optoelectronic element and display device SAMSUNG SDI CO., LTD. (KR) 2018-07-24 — — US disclosed
US-10032990-B2 Organic composition, and organic optoelectronic element and display device SAMSUNG SDI CO., LTD. (KR) 2018-07-24 — — US disclosed
US-20160072073-A1 ORGANIC COMPOSITION, AND ORGANIC OPTOELECTRONIC ELEMENT AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2016-03-10 — — US disclosed
US-20160072073-A1 ORGANIC COMPOSITION, AND ORGANIC OPTOELECTRONIC ELEMENT AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2016-03-10 — — 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 (2 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-10032990-B2 Organic composition, and organic optoelectronic element and display device OCIAD2, OCIAD1, OR51E2 KMT2A 3582/4885MEN1 2329/4885MAPT 2235/4885
US-20160072073-A1 ORGANIC COMPOSITION, AND ORGANIC OPTOELECTRONIC ELEMENT AND DISPLAY DEVICE OCIAD2, OCIAD1, OR51E2 KMT2A 3582/4885MEN1 2329/4885MAPT 2235/4885

“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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