SCHEMBL20015768

SCHEMBL20015768

N#CC(C#N)=C1c2ccccc2-c2c1sc1c3c(sc21)C(=C(C#N)C#N)c1ccccc1-3

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.33
ALDH1A1 P00352 2/20 0.33
GPR35 Q9HC97 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
GAA P10253 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HPRT1 P00492 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
SCHEMBL20015776 0.93 MAPT (0.34) MAPTALDH1A1GPR35MEN1POLB
SCHEMBL20016075 0.79 MAPT (0.35) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL20015772 0.79 MAPT (0.35) MAPTALDH1A1GPR35MEN1KMT2A
SCHEMBL20015738 0.78 TDP2 (0.33) MEN1KMT2AGAA
SCHEMBL20015741 0.77 DNMT1 (0.34) ALDH1A1MEN1KMT2A
SCHEMBL470752 0.77 MAPT (0.37) MAPTALDH1A1GPR35MEN1POLB
SCHEMBL30661156 0.77 MAPT (0.37) MAPTALDH1A1GPR35MEN1POLB
SCHEMBL20016080 0.76 PDK2 (0.40) MAPTALDH1A1GAAKDM4E
SCHEMBL20015744 0.76
SCHEMBL20015770 0.76 HPRT1 (0.33) MAPTALDH1A1GAAHPRT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3369731-B1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEMICAL LTD (KR) 2020-02-19 EP disclosed
US-20180086775-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2018-03-29 US 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 (1 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-20180086775-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME CRY1, CRY2, PPOX MAPT 786/4885ALDH1A1 176/4885GPR35 1831/4885

“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.