SCHEMBL21399795

SCHEMBL21399795

Cc1nc(C)nc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(C#N)cc2-c2c(-n3c4ccccc4c4cc(-c5nc(C)nc(C)n5)ccc43)cccc2C(F)(F)F)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.38
ACP1 P24666 1/20 0.33
CYP1A2 P05177 3/20 0.32
CYP3A4 P08684 3/20 0.32
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 2/20 0.32
CYP2C19 P33261 2/20 0.32
KMT2A Q03164 2/20 0.32
CLK4 Q9HAZ1 2/20 0.32
CYP2D6 P10635 2/20 0.32
TSHR P16473 2/20 0.32
MAPK1 P28482 1/20 0.32
LMNA P02545 1/20 0.32
CYP2C9 P11712 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 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
SCHEMBL21399523 0.96 PTGER4 (0.33) PTGER4ACP1PSEN1PSEN2APH1B
SCHEMBL20849473 0.95 PTGER4 (0.39) PTGER4ACP1CYP1A2CYP3A4ALDH1A1
SCHEMBL20849134 0.92 PTGER4 (0.37) PTGER4ACP1CYP1A2CYP3A4ALDH1A1
SCHEMBL21399755 0.91 CYP1A2 (0.36) PTGER4ACP1CYP1A2CYP3A4ALDH1A1
SCHEMBL20849474 0.91 PTGER4 (0.33) PTGER4ACP1CYP1A2CYP3A4ALDH1A1
SCHEMBL20849132 0.91 PTGER4 (0.37) PTGER4ACP1CYP1A2CYP3A4ALDH1A1
SCHEMBL21399522 0.90 PTGER4 (0.38) PTGER4ACP1CYP1A2CYP3A4ALDH1A1
SCHEMBL20849258 0.89 PTGER4 (0.35) PTGER4ACP1PDPK1
SCHEMBL20849146 0.89 PTGER4 (0.38) PTGER4ACP1CYP1A2CYP3A4ALDH1A1
SCHEMBL21399796 0.88 CYP1A2 (0.36) ACP1CYP1A2CYP3A4ALDH1A1MEN1

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-20190292151-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2019-09-26 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-20190292151-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, NR2E3, FOXO3 PTGER4 1117/4885ACP1 4600/4885CYP1A2 3637/4885

“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.