SCHEMBL20156225

SCHEMBL20156225

Cc1nc(C)nc(-c2ccc(-n3c4cc(C(F)(F)F)ccc4c4ccc(C(F)(F)F)cc43)cc2C#N)n1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 5/20 0.36
XDH P47989 2/20 0.35
KIF11 P52732 1/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
SCN9A Q15858 1/20 0.35
PDE2A O00408 2/20 0.34
PDE10A Q9Y233 1/20 0.34
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AR P10275 2/20 0.31

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
SCHEMBL20150425 0.95 KIF11 (0.42) MAT2AXDHKIF11ALOX5APFEN1
SCHEMBL20156224 0.91 MAT2A (0.36) MAT2AXDHKIF11PDE10ATSHR
SCHEMBL20156180 0.90 ALOX5AP (0.37) XDHALOX5APFEN1SCN9APDE2A
SCHEMBL20115134 0.90 ALDH1A1 (0.33) SMN1; SMN2
SCHEMBL20114889 0.89 XDH (0.35) XDHALOX5APFEN1SMN1; SMN2AR
SCHEMBL20150426 0.86 KIF11 (0.42) MAT2AKIF11SCN9ASMN1; SMN2AR
SCHEMBL21108809 0.86 TSHR (0.38) MAT2AXDHKIF11ALOX5APFEN1
SCHEMBL20115138 0.85 ALDH1A1 (0.33) KIF11SMN1; SMN2
SCHEMBL20156287 0.85 GRM2 (0.34) TSHRSMN1; SMN2
SCHEMBL20115015 0.84 ALDH1A1 (0.34) XDHKIF11ALOX5APFEN1SCN9A

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-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices CYNORA GMBH (DE) 2019-09-24 US disclosed
US-20180134686-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-05-17 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-20180134686-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, EPCAM, F12 MAT2A 2283/4885XDH 122/4885KIF11 2577/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 MAT2A 2283/4885XDH 122/4885KIF11 2577/4885

“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.