SCHEMBL17860596

SCHEMBL17860596

C=CCOP(=O)(OCCC#N)O[C@@H]1C(COP(=O)(OCCC#N)O[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 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.41
▸ TAS1R3 Q7RTX0 2/20 0.40
▸ TAS1R1 Q7RTX1 2/20 0.40
▸ P2RY12 Q9H244 9/20 0.38
▸ DNPH1 O43598 1/20 0.36
▸ P2RY2 P41231 1/20 0.35
▸ P2RY1 P47900 1/20 0.35
▸ P2RY6 Q15077 1/20 0.35
▸ GAPDH P04406 1/20 0.35
▸ IMPDH2 P12268 1/20 0.35
▸ PRMT6 Q96LA8 1/20 0.35

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
SCHEMBL22336699 0.98 KDM4E (0.40) KDM4ETAS1R3TAS1R1P2RY12DNPH1
SCHEMBL20341120 0.95 KDM4E (0.39) KDM4ETAS1R3TAS1R1P2RY12DNPH1
SCHEMBL17860560 0.94 KDM4E (0.40) KDM4ETAS1R3TAS1R1P2RY12DNPH1
SCHEMBL17860492 0.94 TAS1R3 (0.43) KDM4ETAS1R3TAS1R1P2RY12DNPH1
SCHEMBL22336848 0.92 TAS1R3 (0.41) KDM4ETAS1R3TAS1R1P2RY12DNPH1
SCHEMBL18490553 0.92 TAS1R3 (0.42) KDM4ETAS1R3TAS1R1P2RY12DNPH1
SCHEMBL17860498 0.92 KDM4E (0.47) KDM4ETAS1R3TAS1R1IMPDH2
SCHEMBL20341131 0.92 TAS1R3 (0.42) KDM4ETAS1R3TAS1R1P2RY12DNPH1
SCHEMBL20474398 0.91 KDM4E (0.41) KDM4ETAS1R3TAS1R1P2RY12DNPH1
SCHEMBL18490662 0.91 KDM4E (0.41) KDM4ETAS1R3TAS1R1P2RY12DNPH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11667664-B2 Cyclic dinucleotides for cytokine induction KAYLA THERAPEUTICS (FR) 2023-06-06 — — US disclosed
US-11667664-B2 Cyclic dinucleotides for cytokine induction KAYLA THERAPEUTICS (FR) 2023-06-06 — — US disclosed
US-20220017561-A1 CYCLIC DINUCLEOTIDES FOR CYTOKINE INDUCTION KAYLA THERAPEUTICS (FR) 2022-01-20 — — US disclosed
US-10562929-B2 Cyclic dinucleotides for cytokine induction KAYLA THERAPEUTICS (FR) 2020-02-18 — — US disclosed
US-10011630-B2 Cyclic dinucleotides for cytokine induction INVIVOGEN (FR) 2018-07-03 — — US disclosed
US-10011630-B2 Cyclic dinucleotides for cytokine induction INVIVOGEN (FR) 2018-07-03 — — US disclosed
US-20160362441-A1 CYCLIC DINUCLEOTIDES FOR CYTOKINE INDUCTION KAYLA THERAPEUTICS (FR) 2016-12-15 — — US disclosed
US-20160362441-A1 CYCLIC DINUCLEOTIDES FOR CYTOKINE INDUCTION KAYLA THERAPEUTICS (FR) 2016-12-15 — — US disclosed
WO-2016096174-A1 FLUORINATED CYCLIC DINUCLEOTIDES FOR CYTOKINE INDUCTION INVIVOGEN (FR) 2016-06-23 — — WO 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 (5 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-20160362441-A1 CYCLIC DINUCLEOTIDES FOR CYTOKINE INDUCTION IL1B, IFNG, IFNAR1 KDM4E 3469/4885TAS1R3 4300/4885TAS1R1 2754/4885
US-10011630-B2 Cyclic dinucleotides for cytokine induction IL1B, IFNG, IFNAR1 KDM4E 3469/4885TAS1R3 4300/4885TAS1R1 2754/4885
US-20220017561-A1 CYCLIC DINUCLEOTIDES FOR CYTOKINE INDUCTION IL1B, IFNG, IFNAR1 KDM4E 3469/4885TAS1R3 4300/4885TAS1R1 2754/4885
US-11667664-B2 Cyclic dinucleotides for cytokine induction IL1B, IFNG, IFNAR1 KDM4E 3469/4885TAS1R3 4300/4885TAS1R1 2754/4885
US-10562929-B2 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.

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