SCHEMBL20156261

SCHEMBL20156261

N#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(C#N)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
LMNA P02545 4/20 0.42
MAPK1 P28482 2/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ABCG2 Q9UNQ0 10/20 0.39
ABCB1 P08183 4/20 0.39
CYP1A2 P05177 4/20 0.37
MEN1 O00255 3/20 0.37
CYP3A4 P08684 3/20 0.37
KMT2A Q03164 3/20 0.37
CYP2C19 P33261 2/20 0.37
CLK4 Q9HAZ1 2/20 0.37
CYP2D6 P10635 2/20 0.37
TSHR P16473 2/20 0.37
HSD17B10 Q99714 2/20 0.37
CYP2C9 P11712 1/20 0.37
ABCC1 P33527 1/20 0.36
TP53 P04637 2/20 0.34
KDM4E B2RXH2 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
SCHEMBL20150428 0.97 ALDH1A1 (0.40) ALDH1A1LMNAMAPK1HPGDSMN1; SMN2
SCHEMBL20156209 0.92 ALDH1A1 (0.40) ALDH1A1LMNAMAPK1HPGDSMN1; SMN2
SCHEMBL20156268 0.91 CYP1A2 (0.42) ALDH1A1LMNAMAPK1HPGDSMN1; SMN2
SCHEMBL20156262 0.91 ALDH1A1 (0.42) ALDH1A1LMNAMAPK1HPGDSMN1; SMN2
SCHEMBL20115023 0.91 ALDH1A1 (0.37) ALDH1A1LMNAMAPK1HPGDSMN1; SMN2
SCHEMBL20156187 0.91 ALDH1A1 (0.44) ALDH1A1LMNAMAPK1HPGDSMN1; SMN2
SCHEMBL22171727 0.91 ABCG2 (0.40) ALDH1A1LMNAMAPK1HPGDSMN1; SMN2
SCHEMBL20155946 0.90 ALDH1A1 (0.40) ALDH1A1LMNAMAPK1HPGDSMN1; SMN2
SCHEMBL20114698 0.89 ALDH1A1 (0.43) ALDH1A1LMNAMAPK1HPGDSMN1; SMN2
SCHEMBL20155934 0.89 ALDH1A1 (0.43) 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 2 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
US-20180134686-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-05-17 US 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.