SCHEMBL20114668

SCHEMBL20114668

Cc1nc(C)nc(-c2ccc(C#N)c(-n3c4cc(-c5ccccc5)ccc4c4ccc(-c5ccccc5)cc43)c2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 2/20 0.40
MAPK1 P28482 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ABCG2 Q9UNQ0 3/20 0.37
HIF1A Q16665 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
MAT2A P31153 1/20 0.35
KDM4E B2RXH2 2/20 0.35
HTT P42858 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
THRB P10828 1/20 0.35
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL20114523 0.97 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2LMNAHPGDMAPK1
SCHEMBL20150334 0.95 L3MBTL1 (0.44) ALDH1A1SMN1; SMN2LMNAHPGDMAPK1
SCHEMBL20150331 0.93 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2LMNAHPGDMAPK1
SCHEMBL20114671 0.92 L3MBTL1 (0.41) ALDH1A1SMN1; SMN2LMNAHPGDMAPK1
SCHEMBL20150296 0.92 AR (0.39) ALDH1A1SMN1; SMN2L3MBTL1NPSR1CYP11B1
SCHEMBL20150330 0.92 MAT2A (0.36) ALDH1A1SMN1; SMN2LMNAHPGDMAPK1
SCHEMBL20150324 0.91 AR (0.36) ALDH1A1SMN1; SMN2LMNAHPGDMAPK1
SCHEMBL20150306 0.91 AR (0.43) ALDH1A1SMN1; SMN2LMNAHPGDMAPK1
SCHEMBL20114676 0.91 CHEK1 (0.39) MAT2A
SCHEMBL20114678 0.90 PTGER4 (0.37) ALDH1A1SMN1; SMN2LMNAHPGDMAPK1

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 5 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
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 ALDH1A1 387/4885SMN1; SMN2 4495/4885LMNA 3586/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 ALDH1A1 387/4885SMN1; SMN2 4495/4885LMNA 3586/4885

“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.