SCHEMBL19912514

SCHEMBL19912514

Cc1cc(-c2c(-n3c4ccccc4c4ccc(-c5nc(C)nc(C)n5)cc43)cc(C#N)cc2-n2c3ccccc3c3ccc(-c4nc(C)nc(C)n4)cc32)cc(C(F)(F)F)c1

nearest known ligand 0.31

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.31
GPBAR1 Q8TDU6 1/20 0.31
KIF11 P52732 1/20 0.31
PDPK1 O15530 1/20 0.31
RXRA P19793 1/20 0.31
RXRG P48443 1/20 0.31
MAT2A P31153 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
XDH P47989 1/20 0.30
PTGER4 P35408 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
SCHEMBL20616998 0.95 RXRA (0.34) TACR1GPBAR1KIF11PDPK1RXRA
SCHEMBL19903517 0.95 KIF11 (0.33) TACR1GPBAR1KIF11PDPK1RXRA
SCHEMBL19912515 0.95 RXRA (0.33) GPBAR1KIF11RXRARXRGMAT2A
SCHEMBL19912516 0.95 PTGER4 (0.35) TACR1GPBAR1RXRARXRGMAT2A
SCHEMBL19912519 0.93 CYP1A2 (0.34) TACR1KIF11PDPK1RXRARXRG
SCHEMBL20616997 0.91 RXRA (0.37) GPBAR1KIF11RXRARXRGMAT2A
SCHEMBL19918012 0.91 RXRA (0.35) GPBAR1KIF11RXRARXRGMAT2A
SCHEMBL20616996 0.90 PTGER4 (0.36) TACR1GPBAR1KIF11PDPK1RXRA
SCHEMBL19912517 0.90 RXRA (0.34) RXRARXRGMAT2AMEN1ALDH1A1
SCHEMBL19903510 0.90 PTGER4 (0.36) TACR1GPBAR1KIF11PDPK1RXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180062086-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2018-03-01 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 (1 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-20180062086-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 TACR1 1242/4885GPBAR1 3858/4885KIF11 3316/4885

“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.