SCHEMBL20114645

SCHEMBL20114645

Cc1ccc2c3ccccc3n(-c3ccc(-c4nc(C)nc(C)n4)c(C#N)c3)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.38
ALDH1A1 P00352 7/20 0.36
KDM4E B2RXH2 7/20 0.36
HPGD P15428 6/20 0.36
GAA P10253 6/20 0.36
GLA P06280 3/20 0.36
HSD17B10 Q99714 2/20 0.36
CASP1 P29466 1/20 0.36
RECQL P46063 1/20 0.36
CASP7 P55210 1/20 0.36
S1PR4 O95977 1/20 0.36
S1PR1 P21453 1/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPK1 P28482 2/20 0.36
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
L3MBTL1 Q9Y468 5/20 0.33
F2 P00734 1/20 0.33
PLAU P00749 1/20 0.33

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
SCHEMBL20114697 0.94 ALDH1A1 (0.38) GRM2ALDH1A1KDM4EHPGDGAA
SCHEMBL20114657 0.94 ALDH1A1 (0.38) GRM2ALDH1A1KDM4EHPGDGAA
SCHEMBL20156287 0.94 GRM2 (0.34) GRM2ALDH1A1KDM4EHPGDGAA
SCHEMBL20156213 0.92 ALDH1A1 (0.38) GRM2ALDH1A1KDM4EHPGDGAA
SCHEMBL20114644 0.91 ALDH1A1 (0.36) GRM2ALDH1A1KDM4EHPGDGAA
SCHEMBL20156281 0.91 ALDH1A1 (0.36) GRM2ALDH1A1KDM4EHPGDGAA
SCHEMBL20155945 0.90 ALDH1A1 (0.40) GRM2ALDH1A1KDM4EHPGDGAA
SCHEMBL20150423 0.90 ALDH1A1 (0.35) ALDH1A1KDM4EHPGDGAALMNA
SCHEMBL20155970 0.90 ALDH1A1 (0.39) GRM2ALDH1A1KDM4EHPGDGAA
SCHEMBL20156129 0.89 ALDH1A1 (0.37) GRM2ALDH1A1KDM4EHPGDGAA

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 GRM2 1828/4885ALDH1A1 387/4885KDM4E 2860/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 GRM2 1828/4885ALDH1A1 387/4885KDM4E 2860/4885

“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.