SCHEMBL22336697

SCHEMBL22336697

C=CCOP(=O)(OCCC#N)[C@@H]1C(COP(=O)(OCCCC#N)[C@@H]2C(CO)OC(n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@@H]2F)OC(n2cnc3c(=O)[nH]c(NC(=O)C(C)C)nc32)[C@@H]1F

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.40
▸ TAS1R3 Q7RTX0 1/20 0.37
▸ TAS1R1 Q7RTX1 1/20 0.37
▸ P2RY12 Q9H244 9/20 0.35
▸ ADORA1 P30542 4/20 0.35
▸ PRMT6 Q96LA8 1/20 0.35
▸ P2RY2 P41231 1/20 0.34
▸ P2RY1 P47900 1/20 0.34
▸ P2RY6 Q15077 1/20 0.34

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
SCHEMBL21726072 0.98 KDM4E (0.41) KDM4ETAS1R3TAS1R1P2RY12ADORA1
SCHEMBL22336847 0.94 KDM4E (0.41) KDM4ETAS1R3TAS1R1P2RY12ADORA1
SCHEMBL20341120 0.93 KDM4E (0.39) KDM4ETAS1R3TAS1R1P2RY12ADORA1
SCHEMBL21726064 0.92 KDM4E (0.42) KDM4ETAS1R3TAS1R1P2RY12ADORA1
SCHEMBL22337034 0.92 KDM4E (0.46) KDM4ETAS1R3TAS1R1
SCHEMBL21726065 0.92 KDM4E (0.40) KDM4ETAS1R3TAS1R1P2RY12ADORA1
SCHEMBL21726081 0.90 KDM4E (0.47) KDM4ETAS1R3TAS1R1
SCHEMBL22336699 0.89 KDM4E (0.40) KDM4ETAS1R3TAS1R1P2RY12P2RY2
SCHEMBL20341099 0.88 KDM4E (0.38) KDM4ETAS1R3TAS1R1P2RY12ADORA1
SCHEMBL20341141 0.88 KDM4E (0.49) KDM4ETAS1R3TAS1R1ADORA1

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-11053272-B2 Cyclic dinucleotides for cytokine induction KAYLA THERAPEUTICS (FR) 2021-07-06 — — US disclosed
US-20200255469-A1 CYCLIC DINUCLEOTIDES FOR CYTOKINE INDUCTION KAYLA THERAPEUTICS (FR) 2020-08-13 — — 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-11053272-B2 Cyclic dinucleotides for cytokine induction IL1B, IFNG, IFNAR1 KDM4E 3469/4885TAS1R3 4300/4885TAS1R1 2754/4885
US-20200255469-A1 CYCLIC DINUCLEOTIDES FOR CYTOKINE INDUCTION IL1B, IFNG, IFNAR1 KDM4E 3469/4885TAS1R3 4300/4885TAS1R1 2754/4885

“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.

Send feedback