SCHEMBL21325050

SCHEMBL21325050

CC(C)(C)c1ccnc2c(OCC3CC3)c(F)ccc12

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR2B P41595 4/20 0.35
▸ HTR3A P46098 4/20 0.35
▸ HTR4 Q13639 4/20 0.35
▸ HTR2C P28335 3/20 0.35
▸ HTR7 P34969 2/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ HTR2A P28223 1/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.33
▸ RIPK1 Q13546 1/20 0.33
▸ ALOX5AP P20292 1/20 0.32
▸ FEN1 P39748 1/20 0.32
▸ CCNC P24863 1/20 0.32
▸ CDK8 P49336 1/20 0.32
▸ CNR2 P34972 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
SCHEMBL21325060 0.82 ALOX5AP (0.33) HTR2BHTR3AHTR4HTR2CHTR7
SCHEMBL21534011 0.81 HTR2C (0.36) HTR2BHTR3AHTR4HTR2CHTR7
SCHEMBL21325055 0.80 RIPK1 (0.33) HTR2BHTR3AHTR4HTR2CHTR7
SCHEMBL21325057 0.79 RIPK1 (0.37) HTR2BHTR3AHTR4HTR2CHTR7
SCHEMBL21325503 0.78 FFAR4 (0.33) HTR2BHTR3AHTR4HTR2CHTR2A
SCHEMBL21325058 0.77 FFAR4 (0.35) FFAR4RIPK1ALOX5APFEN1CCNC
SCHEMBL20202028 0.75 PIK3R1 (0.39) HTR2BHTR3AHTR4HTR2CHTR7
SCHEMBL20202029 0.74 RIPK1 (0.33) RIPK1ALOX5APFEN1
SCHEMBL21325059 0.71 PDE3B (0.35) HTR2BHTR3AHTR4HTR2CHTR7
SCHEMBL21325056 0.71 ALOX5AP (0.34) FFAR4RIPK1ALOX5APFEN1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11174271-B2 6-membered uracil isosteres CV6 THERAPEUTICS (NI) LIMITED (GB) 2021-11-16 — — US disclosed
US-11168059-B2 Amino sulfonyl compounds CV6 THERAPEUTICS (NI) LIMITED (GB) 2021-11-09 — — US disclosed
US-10858344-B2 Hydantoin containing deoxyuridine triphosphatase inhibitors CV6 THERAPEUTICS (NI) LIMITED (GB) 2020-12-08 — — US disclosed
US-20190330158-A1 AMINO SULFONYL COMPOUNDS CV6 THERAPEUTICS (NI) LIMITED (GB) 2019-10-31 — — US disclosed
US-20190270756-A1 6-MEMBERED URACIL ISOSTERES CV6 THERAPEUTICS (NI) LIMITED (GB) 2019-09-05 — — 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 (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-11174271-B2 6-membered uracil isosteres UNG, DUT, DPYD HTR2B 3845/4885HTR3A 3859/4885HTR4 3878/4885
US-10858344-B2 Hydantoin containing deoxyuridine triphosphatase inhibitors DUT, TYMP, DPYD HTR2B 2876/4885HTR3A 2734/4885HTR4 3019/4885
US-11168059-B2 Amino sulfonyl compounds DPYD, DNPEP, DUT HTR2B 2719/4885HTR3A 3170/4885HTR4 3009/4885
US-20190330158-A1 AMINO SULFONYL COMPOUNDS DPYD, DNPEP, DUT HTR2B 2719/4885HTR3A 3170/4885HTR4 3009/4885
US-20190270756-A1 6-MEMBERED URACIL ISOSTERES UNG, DUT, DPYD HTR2B 3845/4885HTR3A 3859/4885HTR4 3878/4885

“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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