SCHEMBL20115002

SCHEMBL20115002

Cc1cc(C)c(-c2ccc3c4ccccc4n(-c4cc(-c5nc(C)nc(C)n5)ccc4C#N)c3c2)c(C)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 1/20 0.32
PTGER4 P35408 1/20 0.31
ALDH1A1 P00352 3/20 0.31
KDM4E B2RXH2 2/20 0.31
GLA P06280 2/20 0.31
GAA P10253 2/20 0.31
HTT P42858 1/20 0.31
HPGD P15428 2/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NSD2 O96028 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.30
CRHR1 P34998 1/20 0.30
S1PR2 O95136 1/20 0.30
S1PR4 O95977 1/20 0.30
S1PR1 P21453 1/20 0.30
SLC22A12 Q96S37 1/20 0.30
PDE9A O76083 1/20 0.30
PDE1C Q14123 1/20 0.30

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
SCHEMBL20115003 0.95 ALDH1A1 (0.32) MAT2AALDH1A1KDM4ES1PR1
SCHEMBL20150330 0.92 MAT2A (0.36) MAT2APTGER4ALDH1A1KDM4EGLA
SCHEMBL21109692 0.90 CYP1A2 (0.33) MAT2APTGER4ALDH1A1KDM4EGLA
SCHEMBL20150310 0.90 GRIN1 (0.33) MAT2AALDH1A1KDM4EHPGDLMNA
SCHEMBL19942591 0.89 PDE9A (0.34) PTGER4ALDH1A1KDM4EGLAGAA
SCHEMBL20150324 0.89 AR (0.36) MAT2AALDH1A1KDM4EGLAGAA
SCHEMBL20114509 0.89 KDM4E (0.35) MAT2AALDH1A1KDM4EGLAGAA
SCHEMBL20150313 0.88 KDM4E (0.33) MAT2AALDH1A1KDM4EGLAGAA
SCHEMBL21108346 0.88 PTGER4 (0.31) MAT2APTGER4ALDH1A1KDM4EGLA
SCHEMBL20114523 0.88 ALDH1A1 (0.38) MAT2AALDH1A1KDM4EHTTHPGD

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 MAT2A 2283/4885PTGER4 1809/4885ALDH1A1 387/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 MAT2A 2283/4885PTGER4 1809/4885ALDH1A1 387/4885

“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.