SCHEMBL5068124

SCHEMBL5068124

CCn1ccc2cncnc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK2 Q9HBH9 8/20 0.42
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
MKNK1 Q9BUB5 2/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
PI4KA P42356 1/20 0.35
PI4K2B Q8TCG2 1/20 0.35
PI4K2A Q9BTU6 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
EGFR P00533 1/20 0.34
GRM2 Q14416 1/20 0.33
CYP1A2 P05177 4/20 0.33
CYP2C9 P11712 3/20 0.33
CYP2C19 P33261 2/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 3/20 0.32
ALDH1A1 P00352 2/20 0.32
TSHR P16473 2/20 0.32
CLK4 Q9HAZ1 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
SCHEMBL18926936 0.81 MKNK2 (0.39) MKNK2PRMT5WDR77MKNK1ADORA2A
Ammonia Solution, Strong SCHEMBL27463691 0.80 PI4KA (0.39) MKNK2PRMT5WDR77MKNK1PI4KA
SCHEMBL2173797 0.79 MKNK2 (0.40) MKNK2PRMT5WDR77MKNK1EGFR
SCHEMBL25818492 0.79 MKNK2 (0.40) MKNK2PRMT5WDR77MKNK1EGFR
SCHEMBL13195335 0.79 MKNK2 (0.40) MKNK2PRMT5WDR77MKNK1ADORA2A
SCHEMBL24110604 0.78 HTR2C (0.47) MKNK2EGFRHTR2AHTR2C
SCHEMBL30404228 0.78 HTR2C (0.52) CYP1A2CYP2C9CYP3A4HTR2AHTR2C
SCHEMBL25301570 0.78 HTR2C (0.52) CYP1A2CYP2C9CYP3A4HTR2AHTR2C
SCHEMBL24110230 0.78 HTR2C (0.52) CYP1A2CYP2C9CYP3A4HTR2AHTR2C
SCHEMBL8817640 0.77 MKNK2 (0.39) MKNK2PRMT5WDR77MKNK1ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022272060-A1 EP2 ANTAGONIST COMPOUNDS RESERVOIR NEUROSCIENCE, INC. (US) 2022-12-29 WO disclosed
US-11161864-B2 Sting agonists Venenum Biodesign, LLC (US) 2021-11-02 US disclosed
US-20200131209-A1 NOVEL STING AGONISTS Venenum Biodesign, LLC 2020-04-30 US disclosed
US-8172873-B2 Shape memory polymers UNIVERSITY OF ROCHESTER (US) 2012-05-08 US disclosed
US-20110251364-A1 Shape Memory Polymers NATIONAL SCIENCE FOUNDATION 2011-10-13 US disclosed
US-7935131-B2 Shape memory polymers UNIVERSITY OF ROCHESTER (US) 2011-05-03 US disclosed
US-20080177303-A1 Shape memory polymers ROCHESTER, UNIVERSITY OF 2008-07-24 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-20200131209-A1 NOVEL STING AGONISTS STING1, CGAS, TBK1 MKNK2 2998/4885PRMT5 1637/4885WDR77 719/4885
US-11161864-B2 Sting agonists STING1, IRF3, CGAS MKNK2 2937/4885PRMT5 1409/4885WDR77 1059/4885

“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.