SCHEMBL20156173

SCHEMBL20156173

Cc1nc(C)nc(-c2ccc(C#N)c(-n3c4cc(-c5cc(C#N)cc(C#N)c5)ccc4c4ccc(-c5cc(C#N)cc(C#N)c5)cc43)c2)n1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.32
PGR P06401 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
MAT2A P31153 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
SCHEMBL20156172 0.95 CYP1A2 (0.34) PGRMAT2A
SCHEMBL20114676 0.92 CHEK1 (0.39) CHEK1PGRMAT2A
SCHEMBL20150331 0.92 ALDH1A1 (0.35) CYP11B1CYP11B2MAT2A
SCHEMBL20156257 0.91 CYP1A2 (0.40)
SCHEMBL20114998 0.90 KDM5B (0.35) CYP11B1CYP11B2MAT2A
SCHEMBL20114662 0.90 PTGER4 (0.33) CHEK1CYP11B1CYP11B2MAT2A
SCHEMBL20150296 0.88 AR (0.39) CYP11B1CYP11B2MAT2A
SCHEMBL19903486 0.88 CHEK1 (0.31) CHEK1
SCHEMBL19942770 0.88 CHEK1 (0.32) CHEK1
SCHEMBL20114673 0.87 CYP1A2 (0.42)

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
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices CYNORA GMBH (DE) 2019-09-24 US disclosed
US-20180134686-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-05-17 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 (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 2795/4885PGR 2785/4885CYP11B1 1765/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 CHEK1 2795/4885PGR 2785/4885CYP11B1 1765/4885

“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.