SCHEMBL20114703

SCHEMBL20114703

Cc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(C#N)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
AR P10275 1/20 0.38
NR3C1 P04150 2/20 0.36
PGR P06401 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
XDH P47989 2/20 0.34
ABCG2 Q9UNQ0 2/20 0.34
PTGER4 P35408 1/20 0.33
NPY5R Q15761 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
TGFBR1 P36897 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
SCHEMBL20155969 0.97 ALDH1A1 (0.41) ALDH1A1HPGDLMNAMAPK1SMN1; SMN2
SCHEMBL20150441 0.92 ALDH1A1 (0.38) ALDH1A1HPGDLMNAMAPK1SMN1; SMN2
SCHEMBL20114705 0.92 AR (0.40) ALDH1A1HPGDLMNAMAPK1SMN1; SMN2
SCHEMBL20150435 0.91 NR3C1 (0.43) ALDH1A1HPGDLMNAMAPK1SMN1; SMN2
SCHEMBL20150444 0.91 ALDH1A1 (0.41) ALDH1A1HPGDLMNAMAPK1SMN1; SMN2
SCHEMBL20156161 0.90 ALDH1A1 (0.41) ALDH1A1HPGDLMNAMAPK1SMN1; SMN2
SCHEMBL20156202 0.89 ALDH1A1 (0.38) ALDH1A1HPGDLMNAMAPK1SMN1; SMN2
SCHEMBL20150440 0.89 HPGD (0.40) ALDH1A1HPGDLMNAMAPK1SMN1; SMN2
SCHEMBL20150443 0.89 ALDH1A1 (0.40) ALDH1A1HPGDLMNAMAPK1SMN1; SMN2
SCHEMBL20114708 0.89 HPGD (0.40) ALDH1A1HPGDLMNAMAPK1SMN1; 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 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 ALDH1A1 387/4885HPGD 2446/4885LMNA 3586/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 ALDH1A1 387/4885HPGD 2446/4885LMNA 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.