SCHEMBL20115142

SCHEMBL20115142

Cc1nc(C)nc(-c2ccc(C#N)cc2-n2c3cc(-c4cc(C#N)cc(C#N)c4)ccc3c3ccc(-c4cc(C#N)cc(C#N)c4)cc32)n1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.34
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
PTGER4 P35408 1/20 0.32
KMT2A Q03164 1/20 0.31

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
SCHEMBL20114554 0.95 PTGER4 (0.36) CHEK1PTGER4KMT2A
SCHEMBL20114562 0.93 CHEK1 (0.40) CHEK1CYP11B1CYP11B2PTGER4KMT2A
SCHEMBL20114569 0.92 CLK4 (0.38) CHEK1KMT2A
SCHEMBL20150354 0.92 CHEK1 (0.34) CHEK1CYP11B1CYP11B2PTGER4KMT2A
SCHEMBL20150372 0.92 CYP11B2 (0.34) CHEK1CYP11B1CYP11B2PTGER4KMT2A
SCHEMBL20150346 0.91 CHEK1 (0.36) CHEK1CYP11B1CYP11B2PTGER4
SCHEMBL22268548 0.91 CHEK1 (0.34) CHEK1
SCHEMBL20114692 0.91 CHEK1 (0.34) CHEK1CYP11B1CYP11B2PTGER4
SCHEMBL20114543 0.90 CHEK1 (0.36) CHEK1CYP11B1CYP11B2PTGER4KMT2A
SCHEMBL20114538 0.89 TDP2 (0.34) CYP11B1CYP11B2

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 4 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
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 CHEK1 2795/4885CYP11B1 1765/4885CYP11B2 1259/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 CHEK1 2795/4885CYP11B1 1765/4885CYP11B2 1259/4885

“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.