SCHEMBL20114704

SCHEMBL20114704

Cc1nc(C)nc(-c2cc(-n3c4ccccc4c4ccc(-c5ccccc5C)cc43)ccc2C#N)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.41
ALDH1A1 P00352 4/20 0.37
HPGD P15428 4/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NR3C1 P04150 2/20 0.35
PGR P06401 1/20 0.35
TRPA1 O75762 2/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
IMPDH2 P12268 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
GABRA1 P14867 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
SCHEMBL20114707 0.97 AR (0.43) ARALDH1A1HPGDLMNAMAPK1
SCHEMBL20156205 0.94 NR3C1 (0.41) ALDH1A1HPGDLMNAMAPK1SMN1; SMN2
SCHEMBL20114706 0.92 AR (0.38) ARALDH1A1HPGDLMNAMAPK1
SCHEMBL20155943 0.92 ALDH1A1 (0.40) ARALDH1A1HPGDLMNAMAPK1
SCHEMBL20156280 0.91 ALDH1A1 (0.35) ARALDH1A1HPGDLMNAMAPK1
SCHEMBL20150436 0.91 NR3C1 (0.43) ARALDH1A1HPGDLMNAMAPK1
SCHEMBL20150422 0.90 ALDH1A1 (0.44) ALDH1A1HPGDLMNAMAPK1SMN1; SMN2
SCHEMBL20114659 0.90 ALDH1A1 (0.38) ARALDH1A1HPGDLMNAMAPK1
SCHEMBL21131397 0.90 AR (0.47) ARALDH1A1HPGDLMNAMAPK1
SCHEMBL20114655 0.90 ALDH1A1 (0.38) ARALDH1A1HPGDLMNAMAPK1

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 AR 3892/4885ALDH1A1 387/4885HPGD 2446/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 AR 3892/4885ALDH1A1 387/4885HPGD 2446/4885

“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.