SCHEMBL19903517

SCHEMBL19903517

Cc1nc(C)nc(-c2ccc3c4ccccc4n(-c4cc(C#N)cc(-n5c6ccccc6c6ccc(-c7nc(C)nc(C)n7)cc65)c4-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3c2)n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.33
TACR1 P25103 2/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
PDPK1 O15530 1/20 0.32
RXRA P19793 1/20 0.32
RXRG P48443 1/20 0.32
XDH P47989 1/20 0.31
PTGER4 P35408 1/20 0.31
GRM5 P41594 2/20 0.31
TEK Q02763 1/20 0.31
MAT2A P31153 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30
MEN1 O00255 2/20 0.30
ALDH1A1 P00352 2/20 0.30
CYP1A2 P05177 2/20 0.30
CYP3A4 P08684 2/20 0.30
CYP2C19 P33261 2/20 0.30
KMT2A Q03164 2/20 0.30
CLK4 Q9HAZ1 2/20 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
SCHEMBL20616998 0.98 RXRA (0.34) KIF11TACR1GPBAR1PDPK1RXRA
SCHEMBL19912514 0.95 TACR1 (0.31) KIF11TACR1GPBAR1PDPK1RXRA
SCHEMBL19918012 0.95 RXRA (0.35) KIF11GPBAR1RXRARXRGXDH
SCHEMBL19903510 0.94 PTGER4 (0.36) KIF11TACR1GPBAR1PDPK1RXRA
SCHEMBL20616997 0.93 RXRA (0.37) KIF11GPBAR1RXRARXRGXDH
SCHEMBL20616996 0.93 PTGER4 (0.36) KIF11TACR1GPBAR1PDPK1RXRA
SCHEMBL21108791 0.93 RXRA (0.34) KIF11TACR1GPBAR1PDPK1RXRA
SCHEMBL19912515 0.90 RXRA (0.33) KIF11GPBAR1RXRARXRGXDH
SCHEMBL19918021 0.90 RXRA (0.35) TACR1PDPK1RXRARXRGXDH
SCHEMBL19912516 0.90 PTGER4 (0.35) TACR1GPBAR1RXRARXRGXDH

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10439151-B2 Organic molecules, especially for use in organic optoelectronic devices CYNORA GMBH (DE) 2019-10-08 US disclosed
EP-3360945-B1 ORGANIC ELECTROLUMINESCENT DEVICE CYNORA GMBH (DE) 2019-04-24 EP disclosed
EP-3287450-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-03-20 EP disclosed
US-20180062086-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2018-03-01 US disclosed
EP-3287450-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-02-28 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-10439151-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, ORC3, AOC3 KIF11 3253/4885TACR1 1248/4885GPBAR1 3956/4885
US-20180062086-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 KIF11 3316/4885TACR1 1242/4885GPBAR1 3858/4885

“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.