SCHEMBL20115023

SCHEMBL20115023

N#Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c(C#N)c2)c(C#N)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
LMNA P02545 4/20 0.37
MAPK1 P28482 2/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTGER4 P35408 1/20 0.36
CYP1A2 P05177 4/20 0.35
CYP3A4 P08684 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CYP2C19 P33261 2/20 0.35
CLK4 Q9HAZ1 2/20 0.35
CYP2D6 P10635 2/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP2C9 P11712 1/20 0.35
NR3C1 P04150 1/20 0.35
STS P08842 1/20 0.35
ABCG2 Q9UNQ0 5/20 0.35
ABCB1 P08183 2/20 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
SCHEMBL20156211 0.94 NR3C1 (0.36) ALDH1A1LMNAMAPK1HPGDSMN1; SMN2
SCHEMBL24125336 0.94 CYP1A2 (0.36) ALDH1A1LMNAMAPK1HPGDSMN1; SMN2
SCHEMBL20150428 0.94 ALDH1A1 (0.40) ALDH1A1LMNAMAPK1HPGDSMN1; SMN2
SCHEMBL20155978 0.93 ALDH1A1 (0.38) ALDH1A1LMNAMAPK1HPGDSMN1; SMN2
SCHEMBL20156181 0.92 CYP1A2 (0.42) ALDH1A1LMNAMAPK1HPGDSMN1; SMN2
SCHEMBL17897509 0.92 ALDH1A1 (0.37) ALDH1A1LMNAMAPK1HPGDSMN1; SMN2
SCHEMBL20150435 0.92 NR3C1 (0.43) ALDH1A1LMNAMAPK1HPGDSMN1; SMN2
SCHEMBL20150444 0.92 ALDH1A1 (0.41) ALDH1A1LMNAMAPK1HPGDSMN1; SMN2
SCHEMBL20156195 0.91 ALDH1A1 (0.38) ALDH1A1LMNAMAPK1HPGDSMN1; SMN2
SCHEMBL24125330 0.91 ALDH1A1 (0.36) ALDH1A1LMNAMAPK1HPGDSMN1; 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 387/4885LMNA 3586/4885MAPK1 1664/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 ALDH1A1 387/4885LMNA 3586/4885MAPK1 1664/4885

“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.