SCHEMBL19903554

SCHEMBL19903554

Cc1cc(C)c(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc(-n3c4ccccc4c4cc(-c5c(C)cc(C)cc5C)ccc43)c2C#N)c(C)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 1/20 0.34
PDE1C Q14123 1/20 0.34
KIF11 P52732 1/20 0.33
TACR1 P25103 2/20 0.33
BCAT2 O15382 1/20 0.32
BCAT1 P54687 1/20 0.32
NR3C1 P04150 1/20 0.32
PGR P06401 1/20 0.32
NR3C2 P08235 1/20 0.32
MAPT P10636 3/20 0.31
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
RXRA P19793 2/20 0.31
RXRB P28702 1/20 0.31
ICMT O60725 1/20 0.31
XBP1 P17861 1/20 0.31
HTT P42858 1/20 0.31
RXRG P48443 1/20 0.30
AR P10275 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
SCHEMBL19912549 0.97 PDE9A (0.34) PDE9APDE1CKIF11TACR1BCAT2
SCHEMBL20617434 0.95 RXRA (0.37) PDE9APDE1CKIF11TACR1BCAT2
SCHEMBL19903553 0.95 KIF11 (0.34) PDE9APDE1CKIF11TACR1BCAT2
SCHEMBL19903557 0.95 RXRA (0.34) MAPTALDH1A1RXRARXRBICMT
SCHEMBL19912558 0.92 KIF11 (0.34) PDE9APDE1CKIF11TACR1BCAT2
SCHEMBL19917819 0.92 AR (0.34) PDE9APDE1CKIF11TACR1BCAT2
SCHEMBL19912551 0.92 MAPT (0.33) MAPTALDH1A1RXRARXRBXBP1
SCHEMBL19912555 0.91 AR (0.34) PDE9APDE1CKIF11TACR1BCAT2
SCHEMBL20617438 0.90 RXRA (0.36) PDE9APDE1CKIF11TACR1BCAT2
SCHEMBL19917798 0.90 AR (0.38) PDE9APDE1CKIF11TACR1MAPT

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 PDE9A 4756/4885PDE1C 4843/4885KIF11 3253/4885
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.