SCHEMBL20616273

SCHEMBL20616273

O=C(O)c1ccc(C#CCN2C[C@@H]3CNCCN3C2=O)c(F)c1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 8/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ KDM2B Q8NHM5 1/20 0.32
▸ HTR2B P41595 4/20 0.30
▸ PIM1 P11309 1/20 0.30
▸ PIM3 Q86V86 1/20 0.30
▸ PIM2 Q9P1W9 1/20 0.30
▸ HTR2A P28223 5/20 0.30
▸ SCN9A Q15858 1/20 0.30
▸ PABPC1 P11940 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
Hydrochloric Acid SCHEMBL21838971 0.99 DPP4 (0.33) HTR2CDPP4KDM2BPIM1PIM3
Hydrochloric Acid SCHEMBL23898124 0.99 DPP4 (0.33) HTR2CDPP4KDM2BPIM1PIM3
SCHEMBL20615914 0.84 HTR2C (0.37) HTR2CHTR2BHTR2A
SCHEMBL20615913 0.84 HTR2C (0.37) HTR2CHTR2BHTR2A
SCHEMBL20615980 0.82 LMNA (0.35) HTR2CKDM2BHTR2BPIM1PIM3
Trifluoroacetic Acid SCHEMBL23898105 0.81 HTR2C (0.35) HTR2CHTR2BHTR2ASCN9A
SCHEMBL23897883 0.78 USP30 (0.39) DPP4SCN9A
SCHEMBL21838814 0.78 USP30 (0.39) DPP4SCN9A
SCHEMBL22171363 0.75 HTR2C (0.42) HTR2CKDM2BHTR2BHTR2AHSD17B10
SCHEMBL20615716 0.74 SCN9A (0.35) HTR2CHTR2BPIM1PIM3PIM2

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-11142527-B2 Dihydropyrimidine compounds and uses thereof in medicine SUNSHINE LAKE PHARMA CO., LTD. (CN) 2021-10-12 — — US disclosed
US-20200115381-A1 DIHYDROPYRIMIDINE COMPOUNDS AND USES THEREOF IN MEDICINE NORTH & SOUTH BROTHER PHARMACY INVESTMENT COMPANY LIMITED (CN) 2020-04-16 — — US disclosed
WO-2019001396-A1 DIHYDROPYRIMIDINE COMPOUNDS AND USES THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2019-01-03 — — 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 (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-20200115381-A1 DIHYDROPYRIMIDINE COMPOUNDS AND USES THEREOF IN MEDICINE DPYD, SLC10A1, DHODH HTR2C 3558/4885DPP4 136/4885KDM2B 3348/4885
US-11142527-B2 Dihydropyrimidine compounds and uses thereof in medicine DPYD, SLC10A1, DHODH HTR2C 3558/4885DPP4 136/4885KDM2B 3348/4885

“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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