SCHEMBL19912516

SCHEMBL19912516

Cc1cc(-c2c(-n3c4ccccc4c4cc(-c5nc(C)nc(C)n5)ccc43)cc(C#N)cc2-n2c3ccccc3c3cc(-c4nc(C)nc(C)n4)ccc32)cc(C(F)(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.35
MAT2A P31153 1/20 0.33
TACR1 P25103 2/20 0.31
GPBAR1 Q8TDU6 1/20 0.31
RXRA P19793 1/20 0.31
RXRG P48443 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

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
SCHEMBL19903510 0.95 PTGER4 (0.36) PTGER4MAT2ATACR1GPBAR1RXRA
SCHEMBL20616996 0.95 PTGER4 (0.36) PTGER4MAT2ATACR1GPBAR1RXRA
SCHEMBL19912514 0.95 TACR1 (0.31) PTGER4MAT2ATACR1GPBAR1RXRA
SCHEMBL19912518 0.93 CYP1A2 (0.34) PTGER4MAT2ATACR1RXRARXRG
SCHEMBL20616824 0.91 CTSS (0.37) PTGER4MAT2AMEN1ALDH1A1CYP1A2
SCHEMBL22822256 0.91 RXRA (0.37) MAT2AGPBAR1RXRARXRGXDH
SCHEMBL19912513 0.91 RXRA (0.35) MAT2AGPBAR1RXRARXRGXDH
SCHEMBL20616998 0.90 RXRA (0.34) PTGER4MAT2ATACR1GPBAR1RXRA
SCHEMBL19903517 0.90 KIF11 (0.33) PTGER4MAT2ATACR1GPBAR1RXRA
SCHEMBL19912515 0.90 RXRA (0.33) MAT2AGPBAR1RXRARXRGXDH

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 PTGER4 993/4885MAT2A 2653/4885TACR1 1242/4885

“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.