SCHEMBL21758355

SCHEMBL21758355

Cc1nc(C)nc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(C#N)cc2-c2ncccc2-n2c3ccccc3c3cc(-c4nc(C)nc(C)n4)ccc32)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.40
NPY5R Q15761 2/20 0.33
ABCG2 Q9UNQ0 4/20 0.32
SQOR Q9Y6N5 2/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
CLK4 Q9HAZ1 3/20 0.32
ELANE P08246 1/20 0.32
MEN1 O00255 2/20 0.31
ALDH1A1 P00352 2/20 0.31
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2C19 P33261 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPK1 P28482 1/20 0.31
LMNA P02545 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL21758357 0.96 PTGER4 (0.34) PTGER4ABCG2SQORDDB1CRBN
SCHEMBL21758724 0.91 ABCG2 (0.39) PTGER4ABCG2DDB1CRBNCLK4
SCHEMBL21758233 0.88 PTGER4 (0.37) PTGER4NPY5RDDB1CRBNELANE
SCHEMBL21758731 0.88 ABCG2 (0.39) ABCG2CLK4MEN1ALDH1A1CYP1A2
SCHEMBL21758517 0.87 TDO2 (0.38) PTGER4NPY5RDDB1CRBNHRH1
SCHEMBL21758232 0.87 PTGER4 (0.37) PTGER4NPY5RSQORDDB1CRBN
SCHEMBL21758615 0.87 PTGER4 (0.37) PTGER4NPY5RSQORDDB1CRBN
SCHEMBL23347676 0.87 ABCG2 (0.39) PTGER4ABCG2DDB1CRBNCLK4
SCHEMBL20613984 0.87 L3MBTL1 (0.38) PTGER4NPY5RABCG2ALDH1A1HSD17B10
SCHEMBL21758351 0.86 TDO2 (0.36) PTGER4ABCG2DDB1CRBNCLK4

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
EP-3638749-B1 ORGANIC MOLECULE, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2021-05-19 EP disclosed
US-20200062734-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-02-27 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-20200062734-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OXER1, OR10J3, OXGR1 PTGER4 1728/4885NPY5R 189/4885ABCG2 853/4885

“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.