SCHEMBL20156168

SCHEMBL20156168

Cc1nc(C)nc(-c2ccc(C#N)cc2-n2c3cc(-c4ccc(C#N)cc4C#N)ccc3c3ccc(-c4ccc(C#N)cc4C#N)cc32)n1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.36
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32
CHEK1 O14757 1/20 0.32
CRHR1 P34998 1/20 0.31
PTGER4 P35408 1/20 0.31
KMT2A Q03164 1/20 0.31
GRM2 Q14416 1/20 0.30
S1PR1 P21453 1/20 0.30
XDH P47989 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
SCHEMBL20114550 0.95 PTGER4 (0.36) STSCYP11B1CYP11B2PRMT5WDR77
SCHEMBL19943177 0.94 STS (0.34) STSCYP11B1CYP11B2PRMT5WDR77
SCHEMBL19943170 0.93 STS (0.36) STSCYP11B1CYP11B2PRMT5WDR77
SCHEMBL20114589 0.92 STS (0.35) STSCYP11B1CYP11B2PRMT5WDR77
SCHEMBL19943046 0.91 STS (0.34) STSCYP11B1CYP11B2PRMT5WDR77
SCHEMBL22268552 0.91 STS (0.36) STSCYP11B1CYP11B2PRMT5WDR77
SCHEMBL20150372 0.91 CYP11B2 (0.34) CYP11B1CYP11B2CHEK1PTGER4KMT2A
SCHEMBL20655457 0.90 STS (0.36) STSCYP11B1CYP11B2PRMT5WDR77
SCHEMBL21108285 0.90 PTGER4 (0.35) STSCYP11B1CYP11B2PRMT5WDR77
SCHEMBL20150359 0.90 TRPA1 (0.37) PTGER4KMT2A

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 STS 2743/4885CYP11B1 1765/4885CYP11B2 1259/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 STS 2743/4885CYP11B1 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.