SCHEMBL20114522

SCHEMBL20114522

N#Cc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-n1c2ccccc2c2cc(-c3ccccc3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
ALDH1A1 P00352 6/20 0.36
LMNA P02545 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HTT P42858 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
THRB P10828 1/20 0.36
MEN1 O00255 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
KMT2A Q03164 2/20 0.36
CLK4 Q9HAZ1 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPK1 P28482 2/20 0.35
HPGD P15428 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
SCHEMBL19953866 0.98 ALDH1A1 (0.37) CYP11B1CYP11B2ALDH1A1LMNAKDM4E
SCHEMBL20114663 0.96 CYP11B1 (0.39) CYP11B1CYP11B2ALDH1A1LMNAKDM4E
SCHEMBL20156131 0.96 ABCG2 (0.39) ALDH1A1LMNAKDM4EMEN1CYP1A2
SCHEMBL20150308 0.94 NPSR1 (0.37) CYP11B1CYP11B2ALDH1A1LMNAKDM4E
SCHEMBL20150336 0.94 ALDH1A1 (0.40) CYP11B1CYP11B2ALDH1A1LMNAKDM4E
SCHEMBL20114647 0.94 ALDH1A1 (0.40) CYP11B1CYP11B2ALDH1A1LMNAKDM4E
SCHEMBL20114670 0.93 CYP1A2 (0.40) ALDH1A1LMNAKDM4EHTTRXFP1
SCHEMBL20114672 0.92 CYP1A2 (0.47) ALDH1A1LMNAKDM4EMEN1CYP1A2
SCHEMBL20114675 0.92 ABCG2 (0.41) CYP11B1CYP11B2ALDH1A1LMNAMEN1
SCHEMBL20150374 0.92 ALDH1A1 (0.42) CYP11B1CYP11B2ALDH1A1LMNAKDM4E

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 CYP11B1 1765/4885CYP11B2 1259/4885ALDH1A1 387/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 CYP11B1 1765/4885CYP11B2 1259/4885ALDH1A1 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.