SCHEMBL6088034

SCHEMBL6088034

Fc1cccc(Nc2cccnc2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.64
TAAR1 Q96RJ0 1/20 0.64
KIF11 P52732 1/20 0.63
ABCG2 Q9UNQ0 2/20 0.53
PTGS1 P23219 2/20 0.51
PTGS2 P35354 2/20 0.51
LMNA P02545 2/20 0.50
IDO1 P14902 1/20 0.50
TDO2 P48775 1/20 0.50
CYP1A1 P04798 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP1B1 Q16678 1/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 1/20 0.50
TLR4 O00206 1/20 0.49
TLR2 O60603 1/20 0.49
CDK5 Q00535 1/20 0.48
CDK5R1 Q15078 1/20 0.48
GRM4 Q14833 1/20 0.47
RAPGEF4 Q8WZA2 1/20 0.46

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
SCHEMBL21542305 0.87 KIF11 (0.56) KDM4ETAAR1KIF11KMT2ATLR4
SCHEMBL1368828 0.82 KIF11 (0.60) KDM4EKIF11LMNACYP1A2KMT2A
SCHEMBL30675253 0.82 RAPGEF4 (0.61) TAAR1ABCG2IDO1KMT2ARAPGEF4
SCHEMBL29793056 0.82 KIF11 (0.60) KDM4EKIF11LMNACYP1A2KMT2A
SCHEMBL392473 0.82 RAPGEF4 (0.61) TAAR1ABCG2IDO1KMT2ARAPGEF4
SCHEMBL11476804 0.81 ALDH1A1 (0.52) KDM4ETAAR1ABCG2PTGS1PTGS2
SCHEMBL22926673 0.78 TAAR1 (1.00) KDM4ETAAR1LMNACYP1A2KMT2A
SCHEMBL27894486 0.78 CYP1A1 (0.48) KDM4ETAAR1KIF11ABCG2CYP1A1
SCHEMBL3954788 0.78 ABL1 (0.58) KIF11PTGS1PTGS2LMNAIDO1
SCHEMBL1931380 0.78 NPSR1 (0.60) KDM4EKIF11PTGS1PTGS2LMNA

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
CN-112812055-A Compound for organic electroluminescent device, organic electroluminescent device comprising same 陕西莱特迈思光电材料有限公司 2021-05-18 CN disclosed
US-20060167055-A1 Non-nucleoside reverse transcriptase inhibitors MEDIVIR AB (SE) 2006-07-27 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-20060167055-A1 Non-nucleoside reverse transcriptase inhibitors POLR2H, POLR2E, POLR1E KDM4E 2439/4885TAAR1 1702/4885KIF11 2436/4885

“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.