SCHEMBL18834436

SCHEMBL18834436

CN1c2nc(-c3ccccc3C#N)n(Cc3ccc(F)cc3)c2C(=O)N(CCCO)C1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 2/20 0.36
▸ ACHE P22303 1/20 0.35
▸ TSHR P16473 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ CYP2D6 P10635 1/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ P2RX3 P56373 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ P2RX7 Q99572 1/20 0.32
▸ PDE5A O76074 1/20 0.32
▸ DPP4 P27487 1/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL20432069 0.88 TRPC5 (0.36) TSHRALDH1A1KDM4ECYP2D6HRH1
SCHEMBL19375039 0.87 RAB9A (0.36) TSHRALDH1A1KDM4ECYP2D6HRH1
SCHEMBL19505584 0.82 P2RX7 (0.39) TSHRALDH1A1P2RX3KMT2AP2RX7
SCHEMBL18834975 0.81 KDM4E (0.39) TSHRALDH1A1KDM4ELMNAADORA3
SCHEMBL20432432 0.80 PDE5A (0.37) TSHRALDH1A1HSD17B10P2RX3ADORA3
SCHEMBL21499680 0.79 P2RX3 (0.39) TSHRALDH1A1CYP2D6HRH1P2RX3
SCHEMBL18835033 0.79 USP1 (0.39) TSHRLMNAADORA3PDE5ASMN1; SMN2
SCHEMBL18835230 0.79 ALDH1A1 (0.41) TSHRALDH1A1KDM4EHSD17B10CYP2D6
SCHEMBL18833918 0.78 P2RX3 (0.35) TSHRALDH1A1CYP2D6HRH1P2RX3
SCHEMBL19375051 0.78 MDM2 (0.38) P2RX3MAPTLMNAP2RX7L3MBTL1

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 4 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
EP-2970303-B1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES INC (US) 2017-05-10 — — EP 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 PPARG 4102/4885ACHE 3041/4885TSHR 4540/4885
US-11208409-B2 Substituted xanthines and methods of use thereof TRPC5, TRPC7, TRPC4 PPARG 4102/4885ACHE 3041/4885TSHR 4540/4885
US-20190322667-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 PPARG 4102/4885ACHE 3041/4885TSHR 4540/4885

“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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