SCHEMBL13374652

SCHEMBL13374652

Cc1cccc(-c2ccc3c(c2)C(=C(C#N)C#N)c2cc4c(cc2-3)C(=C(C#N)C#N)c2cc(-c3cccc(C(F)(F)F)c3)ccc2-4)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.45
PTPN5 P54829 2/20 0.43
PDK2 Q15119 1/20 0.43
XDH P47989 1/20 0.39
CTSS P25774 2/20 0.37
CTSK P43235 2/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
KIF11 P52732 1/20 0.36
PARP10 Q53GL7 1/20 0.36
PARP11 Q9NR21 1/20 0.36
ICMT O60725 1/20 0.36
ASIC3 Q9UHC3 1/20 0.36
KCNH2 Q12809 1/20 0.35
MAOB P27338 1/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
AKR1C3 P42330 1/20 0.35

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
SCHEMBL12148972 1.00 AR (0.45) ARPTPN5PDK2XDHCTSS
SCHEMBL12198263 0.93 CTSS (0.42) ARPDK2XDHCTSSCTSK
SCHEMBL12118000 0.93 CTSS (0.42) ARPDK2XDHCTSSCTSK
SCHEMBL10075602 0.90 CTSS (0.43) ARPDK2XDHCTSSCTSK
SCHEMBL2755929 0.86 AR (0.42) ARPTPN5PDK2XDHCTSS
SCHEMBL12114441 0.85 AR (0.41) ARPTPN5PDK2XDHCTSS
SCHEMBL12148646 0.85 AR (0.41) ARPTPN5PDK2XDHCTSS
SCHEMBL12117580 0.85 RXRA (0.39) ARPDK2XDHCTSSCTSK
SCHEMBL12148953 0.85 RXRA (0.39) ARPDK2XDHCTSSCTSK
SCHEMBL24487603 0.83 ABL1 (0.39) XDHCTSSCTSKKIF11PARP10

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-8288013-B2 Material for organic electroluminescence device and organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2012-10-16 US disclosed
US-20100019659-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD (JP) 2010-01-28 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-20100019659-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE CYP19A1, ESR1, KCNH3 AR 194/4885PTPN5 4375/4885PDK2 1033/4885

“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.