SCHEMBL20156259

SCHEMBL20156259

Cc1nc(C)nc(-c2ccccc2-n2c3ccccc3c3ccc(-c4ccc(C#N)cc4C#N)cc32)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.35
STS P08842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.33
TRPA1 O75762 1/20 0.33
CYP1A2 P05177 3/20 0.32
CYP3A4 P08684 3/20 0.32
HPGD P15428 3/20 0.32
GABRA1 P14867 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA2 P47869 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 2/20 0.32
PDE10A Q9Y233 1/20 0.32
XDH P47989 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ATM Q13315 1/20 0.32

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) PTGER4STSFFAR4TRPA1CYP1A2
SCHEMBL19943165 0.93 PTGER4 (0.36) PTGER4STSFFAR4TRPA1CYP1A2
SCHEMBL20655459 0.92 STS (0.35) PTGER4STSFFAR4CYP1A2CYP3A4
SCHEMBL21108285 0.92 PTGER4 (0.35) PTGER4STSFFAR4TRPA1CYP1A2
SCHEMBL20150359 0.92 TRPA1 (0.37) PTGER4TRPA1CYP1A2CYP3A4HPGD
SCHEMBL20156117 0.90 TRPA1 (0.37) PTGER4TRPA1CYP1A2CYP3A4HPGD
SCHEMBL20156168 0.90 STS (0.36) PTGER4STSFFAR4XDHKMT2A
SCHEMBL20156132 0.89 PTGER4 (0.35) PTGER4STSFFAR4CYP1A2CYP3A4
SCHEMBL19943042 0.89 PTGER4 (0.37) PTGER4STSFFAR4PDE10AXDH
SCHEMBL20114589 0.89 STS (0.35) PTGER4STSFFAR4CYP1A2KMT2A

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 PTGER4 1809/4885STS 2743/4885FFAR4 4525/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 PTGER4 1809/4885STS 2743/4885FFAR4 4525/4885

“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.