SCHEMBL20114889

SCHEMBL20114889

Cc1nc(C)nc(-c2ccc(-n3c4cc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)ccc4c4ccc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cc43)cc2C#N)n1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.35
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
AR P10275 2/20 0.32
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
CTSS P25774 1/20 0.30
CTSK P43235 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
SCHEMBL20115015 0.95 ALDH1A1 (0.34) XDHCYP11B1CYP11B2ALDH1A1LMNA
SCHEMBL20114887 0.92 CYP11B1 (0.35) XDHCYP11B1CYP11B2ALDH1A1LMNA
SCHEMBL20156136 0.92 XDH (0.35) XDHCYP11B1CYP11B2ALDH1A1LMNA
SCHEMBL20156225 0.89 MAT2A (0.36) XDHSMN1; SMN2ALOX5APFEN1AR
SCHEMBL21108023 0.88 CYP11B1 (0.34) XDHCYP11B1CYP11B2SMN1; SMN2ALOX5AP
SCHEMBL20115020 0.88 ALDH1A1 (0.34) XDHCYP11B1CYP11B2ALDH1A1LMNA
SCHEMBL20156180 0.87 ALOX5AP (0.37) XDHALDH1A1LMNAHPGDMAPK1
SCHEMBL20114714 0.86 ALDH1A1 (0.36) CYP11B1CYP11B2ALDH1A1LMNAHPGD
SCHEMBL21109744 0.85 CYP11B1 (0.34) XDHCYP11B1CYP11B2ARRXRA
SCHEMBL20156221 0.84 CHEK1 (0.38) CYP11B2ALDH1A1LMNAHPGDMAPK1

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-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices CYNORA GMBH (DE) 2019-09-24 US disclosed
EP-3315581-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-01-02 EP disclosed
US-20180134686-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-05-17 US disclosed
EP-3315581-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-05-02 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 (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 XDH 122/4885CYP11B1 1765/4885CYP11B2 1259/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 XDH 122/4885CYP11B1 1765/4885CYP11B2 1259/4885

“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.