SCHEMBL19505608

SCHEMBL19505608

Cn1c(=O)n(CCCOPI)c(=O)c2c1nc(C#CCO)n2Cc1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPC5 Q9UL62 4/20 0.49
▸ TRPC4 Q9UBN4 2/20 0.49
▸ KCNH2 Q12809 1/20 0.49
▸ TP53 P04637 1/20 0.45
▸ TRPC1 P48995 1/20 0.45
▸ TSHR P16473 3/20 0.44
▸ POLB P06746 2/20 0.44
▸ MAPT P10636 4/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ LMNA P02545 3/20 0.42
▸ HTT P42858 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ NPSR1 Q6W5P4 4/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ HIF1A Q16665 1/20 0.40

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
SCHEMBL16076221 0.86 MAPT (0.54) TRPC5TRPC4KCNH2TP53TRPC1
SCHEMBL19505245 0.83 TRPC5 (0.57) TRPC5TRPC4KCNH2TP53TRPC1
SCHEMBL19505419 0.83 TRPC4 (0.49) TRPC5TRPC4KCNH2TP53TRPC1
SCHEMBL19505592 0.83 TRPC4 (0.49) TRPC5TRPC4KCNH2TP53TRPC1
SCHEMBL19505260 0.81 TSHR (0.53) TRPC5TRPC4KCNH2TP53TRPC1
SCHEMBL16029490 0.81 P2RX3 (0.47) TRPC5TRPC4KCNH2TRPC1MAPT
SCHEMBL30149527 0.80 TRPC5 (0.60) TRPC5TRPC4KCNH2TP53TRPC1
SCHEMBL19505568 0.80 TSHR (0.67) TRPC5TRPC4KCNH2TP53TSHR
SCHEMBL21499679 0.79 ALDH1A1 (0.68) TRPC5TRPC4KCNH2TP53TSHR
SCHEMBL30149467 0.79 TRPC5 (0.56) TRPC5TRPC4KCNH2TP53TRPC1

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 6 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
US-10399982-B2 Substituted xanthines and methods of use thereof HYDRA BIOSCIENCES, INC. (US) 2019-09-03 — — US disclosed
US-9969736-B2 Substituted xanthines and methods of use thereof HYDRA BIOSCIENCES, INC. (US) 2018-05-15 — — US disclosed
US-20170305910-A1 Substituted Xanthines and Methods of Use Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-10-26 — — 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-20230040259-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 TRPC5 1/4885TRPC4 3/4885KCNH2 70/4885
US-20170305910-A1 Substituted Xanthines and Methods of Use Thereof TRPC5, TRPC7, TRPC4 TRPC5 1/4885TRPC4 3/4885KCNH2 70/4885
US-10399982-B2 Substituted xanthines and methods of use thereof TRPC5, TRPC7, TRPC4 TRPC5 1/4885TRPC4 3/4885KCNH2 70/4885
US-11208409-B2 Substituted xanthines and methods of use thereof TRPC5, TRPC7, TRPC4 TRPC5 1/4885TRPC4 3/4885KCNH2 70/4885
US-20190322667-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 TRPC5 1/4885TRPC4 3/4885KCNH2 70/4885

“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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