SCHEMBL20114646

SCHEMBL20114646

Cc1ccc2c(c1)c1ccccc1n2-c1ccc(C#N)c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
HPGD P15428 4/20 0.42
LMNA P02545 2/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP1A2 P05177 3/20 0.37
CYP2C9 P11712 3/20 0.37
CYP2C19 P33261 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
ABCG2 Q9UNQ0 4/20 0.36
KDM4E B2RXH2 6/20 0.35
GAA P10253 3/20 0.35
GLA P06280 2/20 0.35
CASP1 P29466 1/20 0.35
RECQL P46063 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GRM2 Q14416 1/20 0.35
S1PR4 O95977 1/20 0.35
S1PR1 P21453 1/20 0.35

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
SCHEMBL20115013 0.97 ALDH1A1 (0.44) ALDH1A1HPGDLMNAMAPK1SMN1; SMN2
SCHEMBL27016226 0.95 ALDH1A1 (0.38) ALDH1A1HPGDLMNAMAPK1SMN1; SMN2
SCHEMBL22137091 0.93 ALDH1A1 (0.37) ALDH1A1HPGDLMNAMAPK1SMN1; SMN2
SCHEMBL20156210 0.93 HPGD (0.40) ALDH1A1HPGDLMNAMAPK1SMN1; SMN2
SCHEMBL20114660 0.92 ALDH1A1 (0.43) ALDH1A1HPGDLMNAMAPK1SMN1; SMN2
SCHEMBL20114658 0.92 ALDH1A1 (0.43) ALDH1A1HPGDLMNAMAPK1SMN1; SMN2
SCHEMBL20155971 0.92 ALDH1A1 (0.39) ALDH1A1HPGDLMNAMAPK1SMN1; SMN2
SCHEMBL27016228 0.92 LMNA (0.40) ALDH1A1HPGDLMNAMAPK1SMN1; SMN2
SCHEMBL27016247 0.92 CYP1A2 (0.40) ALDH1A1HPGDLMNAMAPK1SMN1; SMN2
SCHEMBL20156194 0.92 ALDH1A1 (0.42) 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 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 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.