SCHEMBL17859220

SCHEMBL17859220

N#Cc1ccc(C2(c3ccc(C#N)cc3)c3ccccc3-c3cc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)ccc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.39
TNKS O95271 1/20 0.36
PRKDC P78527 3/20 0.36
GGPS1 O95749 1/20 0.33
PDK2 Q15119 2/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
OPRK1 P41145 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CCNT1 O60563 1/20 0.30
CDK9 P50750 1/20 0.30

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
SCHEMBL17804740 0.93 ALOX5 (0.39) ALOX5TNKSPRKDCGGPS1PDK2
SCHEMBL17804917 0.92 ALOX5 (0.38) ALOX5TNKSPRKDCGGPS1PDK2
SCHEMBL16998977 0.92 ALOX5 (0.38) ALOX5TNKSPRKDCGGPS1PDK2
SCHEMBL16996057 0.92 ALOX5 (0.39) ALOX5TNKSPRKDCGGPS1PDK2
SCHEMBL9917171 0.91 ALOX5 (0.38) ALOX5TNKSPRKDCGGPS1PDK2
SCHEMBL17804957 0.90 ALOX5 (0.44) ALOX5PRKDCGGPS1KDM4EMEN1
SCHEMBL17859217 0.90 ALOX5 (0.38) ALOX5TNKSPRKDCGGPS1CCNT1
SCHEMBL16996363 0.89 ALOX5 (0.41) ALOX5TNKSPRKDCGGPS1PDK2
SCHEMBL17855593 0.89 ALOX5 (0.43) ALOX5PRKDCGGPS1KDM4EMEN1
SCHEMBL17804646 0.89 ALOX5 (0.43) ALOX5PRKDCGGPS1KDM4EMEN1

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-20160181525-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, 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-20160181525-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE ESR1, ESR2, CCNE2 ALOX5 1603/4885TNKS 2236/4885PRKDC 4864/4885

“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.