SCHEMBL20114589

SCHEMBL20114589

Cc1nc(C)nc(-c2cc(C#N)ccc2-n2c3cc(-c4ccc(C#N)cc4C#N)ccc3c3ccc(-c4ccc(C#N)cc4C#N)cc32)n1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.35
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
CRHR1 P34998 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32
CASP3 P42574 1/20 0.32
CHEK1 O14757 1/20 0.31
PTGER4 P35408 1/20 0.31
GRM5 P41594 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
SETDB1 Q15047 1/20 0.30
KMT2A Q03164 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
SCHEMBL20655457 0.96 STS (0.36) STSCYP11B1CYP11B2PRMT5WDR77
SCHEMBL19943177 0.93 STS (0.34) STSCYP11B1CYP11B2PRMT5WDR77
SCHEMBL20156168 0.92 STS (0.36) STSCYP11B1CYP11B2PRMT5WDR77
SCHEMBL19943170 0.92 STS (0.36) STSCYP11B1CYP11B2PRMT5WDR77
SCHEMBL20156116 0.92 TRPA1 (0.39) PTGER4CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL20655459 0.91 STS (0.35) STSPRMT5WDR77CRHR1FFAR4
SCHEMBL20150412 0.90 CASP3 (0.35) CYP11B1CYP11B2CRHR1CASP3CHEK1
SCHEMBL21108285 0.89 PTGER4 (0.35) STSCYP11B1CYP11B2PRMT5WDR77
SCHEMBL20156117 0.89 TRPA1 (0.37) PTGER4CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL20156259 0.89 PTGER4 (0.35) STSFFAR4PTGER4CYP1A2KMT2A

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 3 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
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 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.