SCHEMBL20114647

SCHEMBL20114647

N#Cc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-n1c2ccccc2c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.40
LMNA P02545 5/20 0.40
KDM4E B2RXH2 3/20 0.40
HTT P42858 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
THRB P10828 1/20 0.40
CYP1A2 P05177 5/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
CYP2C19 P33261 3/20 0.39
CYP3A4 P08684 3/20 0.39
CLK4 Q9HAZ1 2/20 0.39
CYP2C9 P11712 2/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP2D6 P10635 2/20 0.39
MAPK1 P28482 2/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ABCG2 Q9UNQ0 4/20 0.38

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
SCHEMBL19953866 0.96 ALDH1A1 (0.37) ALDH1A1LMNAKDM4EHTTRXFP1
SCHEMBL20114522 0.94 CYP11B1 (0.37) ALDH1A1LMNAKDM4EHTTRXFP1
SCHEMBL20150374 0.93 ALDH1A1 (0.42) ALDH1A1LMNAKDM4EHTTRXFP1
SCHEMBL31273251 0.93 ALDH1A1 (0.35) ALDH1A1LMNAKDM4EHTTRXFP1
SCHEMBL20115135 0.93 ALDH1A1 (0.42) ALDH1A1LMNAKDM4EHTTRXFP1
SCHEMBL25904413 0.93 KDM4E (0.42) ALDH1A1LMNAKDM4EHTTRXFP1
SCHEMBL28513340 0.92 CYP11B1 (0.40) ALDH1A1LMNAKDM4EHTTRXFP1
SCHEMBL20150336 0.92 ALDH1A1 (0.40) ALDH1A1LMNAKDM4EHTTRXFP1
SCHEMBL20114664 0.92 CYP1A2 (0.41) ALDH1A1LMNAKDM4ECYP1A2MEN1
SCHEMBL20150294 0.91 ABCG2 (0.38) ALDH1A1LMNAKDM4EHTTRXFP1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210351364-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE SK MATERIALS JNC CO., LTD. (KR) 2021-11-11 US disclosed
CN-112272695-A Composition of matter for organic light emitting diode 九州有机光材股份有限公司 2021-01-26 CN disclosed
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 387/4885LMNA 3586/4885KDM4E 2860/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 ALDH1A1 387/4885LMNA 3586/4885KDM4E 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.