SCHEMBL19726526

SCHEMBL19726526

Cc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc6c(c5)C(C)(C)c5cc7c(cc5-6)C(C)(C)c5cc(C)ccc5-7)cc4)cc3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 9/20 0.43
▸ PGR P06401 2/20 0.37
▸ ALDH1A1 P00352 3/20 0.34
▸ L3MBTL1 Q9Y468 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ MEN1 O00255 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ FLT3 P36888 1/20 0.32
▸ PTPRC P08575 1/20 0.32
▸ HPRT1 P00492 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ MAOA P21397 1/20 0.31
▸ MAOB P27338 1/20 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
SCHEMBL19726527 1.00 PDK2 (0.43) PDK2PGRALDH1A1L3MBTL1KDM4E
SCHEMBL12157455 0.97 PDK2 (0.45) PDK2PGRALDH1A1L3MBTL1KDM4E
SCHEMBL19726524 0.97 PDK2 (0.45) PDK2PGRALDH1A1L3MBTL1KDM4E
SCHEMBL10013962 0.97 PDK2 (0.45) PDK2PGRALDH1A1L3MBTL1KDM4E
SCHEMBL15836302 0.97 PDK2 (0.45) PDK2PGRALDH1A1L3MBTL1KDM4E
SCHEMBL12157449 0.97 PDK2 (0.45) PDK2PGRALDH1A1L3MBTL1KDM4E
SCHEMBL14174440 0.94 PDK2 (0.47) PDK2PGRALDH1A1L3MBTL1KDM4E
SCHEMBL10013964 0.94 PDK2 (0.47) PDK2PGRALDH1A1L3MBTL1KDM4E
SCHEMBL14692899 0.94 PDK2 (0.47) PDK2PGRALDH1A1L3MBTL1KDM4E
SCHEMBL14001330 0.94 PDK2 (0.47) PDK2PGRALDH1A1L3MBTL1KDM4E

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-20170365789-A1 COMPOUND, MIXTURE COMPRISING THE SAME, COMPOSITION AND ORGANIC ELECTRONIC DEVICE GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2017-12-21 — — 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-20170365789-A1 COMPOUND, MIXTURE COMPRISING THE SAME, COMPOSITION AND ORGANIC ELECTRONIC DEVICE DDT, DRD3, ICMT PDK2 1349/4885PGR 2155/4885ALDH1A1 2400/4885

“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.

Send feedback