SCHEMBL3794091

SCHEMBL3794091

N#Cc1ccc2[nH]c3c4[nH]c5ccc(C#N)cc5c4c4c5cc(C#N)ccc5[nH]c4c3c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 2/20 0.55
▸ CHUK O15111 1/20 0.49
▸ PARP1 P09874 1/20 0.48
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ FASN P49327 1/20 0.42
▸ IMPDH2 P12268 1/20 0.42
▸ IMPDH1 P20839 1/20 0.42
▸ MAPK10 P53779 1/20 0.40
▸ RIPK1 Q13546 1/20 0.40
▸ GSK3B P49841 2/20 0.40
▸ CDK5 Q00535 2/20 0.40
▸ CDK5R1 Q15078 2/20 0.40
▸ GSK3A P49840 1/20 0.40
▸ CYP19A1 P11511 1/20 0.39
▸ ITK Q08881 1/20 0.38
▸ CLK1 P49759 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ CCNB2 O95067 1/20 0.38

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
SCHEMBL4467216 0.85 CCNE2 (0.44) ARCHUKPARP1MEN1KMT2A
SCHEMBL21563917 0.82 AR (0.53) ARCHUKPARP1MEN1KMT2A
SCHEMBL8669890 0.81 AR (0.52) ARCHUKPARP1MEN1KMT2A
SCHEMBL22566966 0.80 ROCK2 (0.61) PARP1MEN1KMT2AGSK3BCDK5
SCHEMBL29402283 0.80 CHUK (0.68) ARCHUKMEN1KMT2AL3MBTL1
SCHEMBL606784 0.80 CHUK (0.68) ARCHUKMEN1KMT2AL3MBTL1
SCHEMBL30545930 0.80 CHUK (0.68) ARCHUKMEN1KMT2AL3MBTL1
SCHEMBL15202514 0.80 MEN1 (0.53) ARCHUKPARP1MEN1KMT2A
SCHEMBL28589834 0.78 CHUK (0.66) ARCHUKMEN1KMT2AL3MBTL1
SCHEMBL22745291 0.74 AR (0.55) ARCHUKPARP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645400-B2 Composition containing carbon nanotubes having a coating MITSUBISHI RAYON CO., LTD. (JP) 2010-01-12 — — US disclosed
US-20090321688-A1 Carbon Nanotube Composition, Composite Having a Coated Film Composed of the Same, and Their Production Methods MITSUBISHI RAYON CO., LTD. (JP) 2009-12-31 — — US disclosed
US-7585981-B2 Method for producing trimer of indole derivative, and trimer of indole derivative and laminated structure thereof MITSUBISHI RAYON CO., LTD. (JP) 2009-09-08 — — US disclosed
EP-1327632-B1 METHOD FOR PRODUCING TRIMER OF INDOLE DERIVATIVE, AND TRIMER OF INDOLE DERIVATIVE AND LAMINATED STRUCTURE THEREOF MITSUBISHI RAYON CO (JP) 2008-12-03 — — EP disclosed
US-20060211793-A1 Method for producing trimer of indole derivative, and trimer of indole derivative and laminated structure thereof MITSUBISHI RAYONE CO., LTD. (JP) 2006-09-21 — — US disclosed
US-20060052509-A1 Composition containing carbon nanotubes having coating thereof and process for producing them MITSUBISHI RAYON CO., LTD. (JP) 2006-03-09 — — US disclosed
EP-1327632-A1 METHOD FOR PRODUCING TRIMER OF INDOLE DERIVATIVE, AND TRIMER OF INDOLE DERIVATIVE AND LAMINATED STRUCTURE THEREOF Mitsubishi Rayon Co., Ltd. (JP) 2003-07-16 — — EP 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-20060211793-A1 Method for producing trimer of indole derivative, and trimer of indole derivative and laminated structure thereof IDO1, IDO2, INMT AR 1089/4885CHUK 2671/4885PARP1 411/4885

“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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