SCHEMBL20848848

SCHEMBL20848848

N#Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(C#N)c(-c3cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc3-n3c4ccccc4c4cc(-c5cccc(C#N)c5)ccc43)c2)c1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 11/20 0.35
PTPN5 P54829 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.33
PDK2 Q15119 1/20 0.33
CETP P11597 1/20 0.33
SCN9A Q15858 2/20 0.33
CYP2C9 P11712 1/20 0.33
PGR P06401 2/20 0.32
MAT2A P31153 1/20 0.32
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
RORC P51449 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
SCHEMBL20849174 0.97 AR (0.35) ARPTPN5PTGDR2PDK2CETP
SCHEMBL22985035 0.94 AR (0.37) ARSCN9APGREDNRBEDNRA
SCHEMBL22985031 0.94 AR (0.37) ARPTPN5PDK2PGRRORC
SCHEMBL22985210 0.94 PTPN5 (0.36) PTPN5PTGDR2PDK2CETPSCN9A
SCHEMBL20848690 0.93 AR (0.38) ARSCN9APGREDNRBEDNRA
SCHEMBL20849528 0.93 AR (0.38) ARSCN9ACYP2C9PGREDNRB
SCHEMBL20848849 0.93 AR (0.40) ARSCN9ACYP2C9PGREDNRB
SCHEMBL22985538 0.92 AR (0.38) ARSCN9APGRRORC
SCHEMBL20848699 0.92 AR (0.40) ARSCN9ACYP2C9PGREDNRB
SCHEMBL20848696 0.92 AR (0.40) ARSCN9ACYP2C9PGREDNRB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10978646-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2021-04-13 US disclosed
US-20190097141-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2019-03-28 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 (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-10978646-B2 Organic molecules for use in optoelectronic devices OCIAD2, OCIAD1, POU2F1 AR 3706/4885PTPN5 4494/4885PTGDR2 3905/4885
US-20190097141-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OCIAD2, OCIAD1, POU2F1 AR 3706/4885PTPN5 4494/4885PTGDR2 3905/4885

“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.