SCHEMBL19912459

SCHEMBL19912459

Cc1cc(-c2cc(-n3c4ccccc4c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)c(C#N)cc2-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)cc(C(F)(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 6/20 0.35
XDH P47989 2/20 0.34
AR P10275 2/20 0.33
CYP1A2 P05177 3/20 0.32
CYP2C19 P33261 3/20 0.32
CYP2C9 P11712 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PTGER4 P35408 2/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
NPY5R Q15761 1/20 0.31
MEN1 O00255 2/20 0.31
ALDH1A1 P00352 2/20 0.31
CYP3A4 P08684 2/20 0.31
KMT2A Q03164 2/20 0.31
CLK4 Q9HAZ1 2/20 0.31
SYK P43405 1/20 0.31
MAPK1 P28482 1/20 0.31
LMNA P02545 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL19912456 0.95 ABCG2 (0.35) ABCG2XDHARCYP1A2CYP2C19
SCHEMBL19903597 0.94 ABCG2 (0.33) ABCG2XDHARCYP1A2CYP2C19
SCHEMBL19912457 0.93 PTGER4 (0.32) XDHARPTGER4
SCHEMBL19912419 0.93 AR (0.38) XDHARCYP1A2CYP2C19CYP2C9
SCHEMBL19918016 0.92 XDH (0.37) ABCG2XDHARCYP1A2CYP2C19
SCHEMBL19903535 0.92 ABCG2 (0.34) ABCG2XDHARCYP1A2CYP2C19
SCHEMBL20150312 0.91 AR (0.38) ABCG2XDHARCYP1A2CYP2C19
SCHEMBL19912433 0.91 AR (0.38) XDHARCYP1A2CYP2C19CYP2C9
SCHEMBL20617201 0.91 RXRA (0.36) ABCG2XDHCYP1A2CYP2C19CYP2C9
SCHEMBL19912416 0.91 AR (0.39) XDHARALDH1A1

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 ABCG2 3166/4885XDH 68/4885AR 4212/4885

“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.