SCHEMBL21534011

SCHEMBL21534011

CCc1ccnc2c(OCC3CC3)c(F)ccc12

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 3/20 0.36
▸ HTR2B P41595 3/20 0.36
▸ HTR3A P46098 3/20 0.36
▸ HTR4 Q13639 3/20 0.36
▸ HTR7 P34969 2/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ FFAR4 Q5NUL3 2/20 0.35
▸ ALOX5AP P20292 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ PARP15 Q460N3 1/20 0.33
▸ PARP10 Q53GL7 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ CCNC P24863 1/20 0.32
▸ CDK8 P49336 1/20 0.32
▸ KDM4C Q9H3R0 2/20 0.31
▸ HCAR2 Q8TDS4 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ CYP2C9 P11712 2/20 0.31
▸ AR P10275 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
SCHEMBL21690529 0.82 ALOX5AP (0.34) HTR2CHTR2BHTR3AHTR4HTR7
SCHEMBL21325050 0.81 HTR2B (0.35) HTR2CHTR2BHTR3AHTR4HTR7
SCHEMBL21690528 0.78 RIPK1 (0.38) HTR2CHTR2BHTR3AHTR4HTR7
SCHEMBL21325059 0.77 PDE3B (0.35) HTR2CHTR2BHTR3AHTR4HTR7
SCHEMBL21690530 0.76 FFAR4 (0.38) HTR2CHTR2BHTR3AHTR4HTR7
SCHEMBL20202028 0.76 PIK3R1 (0.39) HTR2CHTR2BHTR3AHTR4HTR7
SCHEMBL24180084 0.73 RIPK1 (0.37) FFAR4ALOX5APFEN1PARP15PARP10
SCHEMBL21325055 0.73 RIPK1 (0.33) HTR2CHTR2BHTR3AHTR4HTR7
SCHEMBL21325503 0.71 FFAR4 (0.33) HTR2CHTR2BHTR3AHTR4FFAR4
SCHEMBL7565615 0.71 CCR1 (0.50) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11247984-B2 Uracil containing compounds CV6 THERAPEUTICS (NI) LIMITED (GB) 2022-02-15 — — US disclosed
US-20200039966-A1 URACIL CONTAINING COMPOUNDS CV6 THERAPEUTICS (NI) LIMITED (GB) 2020-02-06 — — US disclosed
US-20190330210-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2019-10-31 — — 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 (3 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-20190330210-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS DUT, TYMP, DPYD HTR2C 2804/4885HTR2B 2876/4885HTR3A 2734/4885
US-20200039966-A1 URACIL CONTAINING COMPOUNDS UNG, DPYD, DUT HTR2C 4038/4885HTR2B 3897/4885HTR3A 3824/4885
US-11247984-B2 Uracil containing compounds UNG, DPYD, DUT HTR2C 4038/4885HTR2B 3897/4885HTR3A 3824/4885

“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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