SCHEMBL21499640

SCHEMBL21499640

CN1c2nc(-c3cccc(OC(F)F)c3)n(Cc3ccccc3)c2C(=O)N(CCCO)C1O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 3/20 0.38
▸ TRPC5 Q9UL62 5/20 0.38
▸ F11 P03951 2/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ PDE5A O76074 1/20 0.37
▸ PDE4A P27815 1/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ PDE4C Q08493 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ XBP1 P17861 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ GRIN1 Q05586 3/20 0.36
▸ GRIN2B Q13224 3/20 0.36
▸ P2RX3 P56373 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ ROCK2 O75116 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
SCHEMBL21316344 0.91 P2RX3 (0.40) MDM2ADORA3NPSR1PDE5APDE4A
SCHEMBL18834253 0.90 ADORA3 (0.46) F11ADORA3NPSR1PDE5APDE4A
SCHEMBL21316348 0.87 ALDH1A1 (0.40) TRPC5ADORA3PDE5APDE4APDE4B
SCHEMBL22105398 0.82 MEN1 (0.50) ADORA3NPSR1PDE5APDE4APDE4B
SCHEMBL19375051 0.80 MDM2 (0.38) MDM2P2RX3TP53
SCHEMBL18835240 0.78 TRPC5 (0.47) TRPC5P2RX3
SCHEMBL18835033 0.78 USP1 (0.39) TRPC5ADORA3PDE5APDE4APDE4B
SCHEMBL21499716 0.78 PDE4A (0.38) F11ADORA3PDE5APDE4APDE4B
SCHEMBL18834975 0.78 KDM4E (0.39) TRPC5ADORA3PDE5APDE4APDE4B
SCHEMBL18835341 0.77 TRPC4 (0.41) TRPC5ADORA3PDE5AALDH1A1KMT2A

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-20230040259-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, LLC (US) 2023-02-09 — — US disclosed
US-11208409-B2 Substituted xanthines and methods of use thereof HYDRA BIOSCIENCES, LLC (US) 2021-12-28 — — US disclosed
US-20190322667-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-10-24 — — 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-20230040259-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 MDM2 4153/4885TRPC5 1/4885F11 4233/4885
US-11208409-B2 Substituted xanthines and methods of use thereof TRPC5, TRPC7, TRPC4 MDM2 4153/4885TRPC5 1/4885F11 4233/4885
US-20190322667-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 MDM2 4153/4885TRPC5 1/4885F11 4233/4885

“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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