SCHEMBL20617142

SCHEMBL20617142

Cc1cc(C)c(-c2ccc3c(c2)c2ccccc2n3-c2cc(C#N)cc(-n3c4ccccc4c4cc(-c5c(C)cc(C)cc5C)ccc43)c2-c2cccc(C(F)(F)F)c2)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 1/20 0.36
ELANE P08246 4/20 0.35
CTSS P25774 2/20 0.34
KIF11 P52732 1/20 0.34
SLC11A2 P49281 1/20 0.34
GRM5 P41594 1/20 0.34
CYP2C9 P11712 1/20 0.34
GRIN1 Q05586 2/20 0.33
GRIN2B Q13224 2/20 0.33
KDM4E B2RXH2 1/20 0.33
IKBKB O14920 1/20 0.33
BRD4 O60885 1/20 0.33
RAPGEF4 Q8WZA2 1/20 0.33
LRRK2 Q5S007 1/20 0.32
PTGER4 P35408 1/20 0.32
CYP3A4 P08684 1/20 0.32
CTSK P43235 1/20 0.32
NR3C1 P04150 1/20 0.32
PGR P06401 1/20 0.32

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
SCHEMBL22564381 0.93 RXRA (0.36) MAT2AKIF11PTGER4NR3C1PGR
SCHEMBL19903634 0.93 TACR1 (0.34) MAT2AKIF11PTGER4NR3C1PGR
SCHEMBL19912495 0.92 RXRA (0.33) MAT2AKIF11PTGER4NR3C1PGR
SCHEMBL21546844 0.90 MAT2A (0.40) MAT2AKIF11GRM5GRIN1GRIN2B
SCHEMBL22564368 0.88 RXRA (0.35) MAT2AKIF11NR3C1PGR
SCHEMBL19903527 0.88 KIF11 (0.34) MAT2AKIF11NR3C1PGR
SCHEMBL20617000 0.88 PTPN5 (0.41) MAT2ACTSSKIF11GRM5GRIN1
SCHEMBL20617173 0.88 RXRA (0.38) MAT2AELANECTSSKIF11GRIN1
SCHEMBL20617430 0.88 RXRA (0.39) MAT2AKIF11
SCHEMBL21546948 0.88 PTGER4 (0.37) MAT2AELANECYP2C9KDM4EPTGER4

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-20190006600-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-01-03 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-20190006600-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES OR10J3, ORC3, ORAI3 MAT2A 3431/4885ELANE 1921/4885CTSS 4000/4885

“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.