SCHEMBL20114709

SCHEMBL20114709

Cc1nc(C)nc(-c2ccc(-n3c4cc(-c5ccccc5C)ccc4c4ccc(-c5ccccc5C)cc43)cc2C#N)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.40
ALDH1A1 P00352 4/20 0.39
HPGD P15428 3/20 0.39
MAPK1 P28482 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NR3C1 P04150 2/20 0.36
PGR P06401 1/20 0.36
TRPA1 O75762 2/20 0.34
FFAR4 Q5NUL3 1/20 0.33
IMPDH2 P12268 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
TGFBR1 P36897 1/20 0.32
CYP1A2 P05177 3/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL20114706 0.97 AR (0.38) ARALDH1A1HPGDMAPK1LMNA
SCHEMBL20156193 0.93 NR3C1 (0.42) ALDH1A1HPGDMAPK1LMNASMN1; SMN2
SCHEMBL20114707 0.92 AR (0.43) ARALDH1A1HPGDMAPK1LMNA
SCHEMBL20156206 0.90 NR3C1 (0.40) ALDH1A1HPGDMAPK1LMNASMN1; SMN2
SCHEMBL20156139 0.89 ALDH1A1 (0.34) ALDH1A1HPGDMAPK1LMNASMN1; SMN2
SCHEMBL20156163 0.89 ALDH1A1 (0.46) ALDH1A1HPGDMAPK1LMNASMN1; SMN2
SCHEMBL20156281 0.89 ALDH1A1 (0.36) ARALDH1A1HPGDMAPK1LMNA
SCHEMBL21116213 0.89 AR (0.47) ARALDH1A1HPGDMAPK1LMNA
SCHEMBL20114704 0.89 AR (0.41) ARALDH1A1HPGDMAPK1LMNA
SCHEMBL20155945 0.88 ALDH1A1 (0.40) ALDH1A1HPGDMAPK1LMNASMN1; SMN2

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 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.