SCHEMBL19912549

SCHEMBL19912549

Cc1cc(-c2cc(-n3c4ccccc4c4cc(-c5c(C)cc(C)cc5C)ccc43)c(C#N)c(-n3c4ccccc4c4cc(-c5c(C)cc(C)cc5C)ccc43)c2)cc(C(F)(F)F)c1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 1/20 0.34
PDE1C Q14123 1/20 0.34
KIF11 P52732 1/20 0.32
BCAT2 O15382 1/20 0.31
BCAT1 P54687 1/20 0.31
NR3C1 P04150 1/20 0.31
PGR P06401 1/20 0.31
NR3C2 P08235 1/20 0.31
MAPT P10636 2/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TACR1 P25103 1/20 0.30
XBP1 P17861 1/20 0.30
HTT P42858 1/20 0.30
AR P10275 1/20 0.30
POLB P06746 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
SCHEMBL19903554 0.97 PDE9A (0.34) PDE9APDE1CKIF11BCAT2BCAT1
SCHEMBL19912558 0.95 KIF11 (0.34) PDE9APDE1CKIF11BCAT2BCAT1
SCHEMBL19912551 0.95 MAPT (0.33) MAPTALDH1A1XBP1HTTAR
SCHEMBL20617434 0.94 RXRA (0.37) PDE9APDE1CKIF11BCAT2BCAT1
SCHEMBL19912555 0.94 AR (0.34) PDE9APDE1CKIF11BCAT2BCAT1
SCHEMBL19912546 0.93 AR (0.34) PDE9APDE1CKIF11BCAT2BCAT1
SCHEMBL19903553 0.92 KIF11 (0.34) PDE9APDE1CKIF11BCAT2BCAT1
SCHEMBL19903557 0.92 RXRA (0.34) MAPTALDH1A1XBP1HTTAR
SCHEMBL19912379 0.91 AR (0.35) PDE9APDE1CKIF11MAPTALDH1A1
SCHEMBL19912532 0.91 AR (0.37) PDE9APDE1CKIF11MAPTALDH1A1

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 PDE9A 4759/4885PDE1C 4812/4885KIF11 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.