SCHEMBL19505293

SCHEMBL19505293

COCCN1C(=O)c2c(nc(Oc3cccc(C(F)(F)F)c3)n2Cc2ccc(C(F)(F)F)cc2)N(C)C1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 1/20 0.38
▸ LMNA P02545 5/20 0.38
▸ HTT P42858 2/20 0.36
▸ TRPC4 Q9UBN4 2/20 0.36
▸ TRPC5 Q9UL62 2/20 0.36
▸ TRPC1 P48995 1/20 0.36
▸ MAPT P10636 5/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ P2RX3 P56373 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ GPBAR1 Q8TDU6 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ HDAC1 Q13547 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
SCHEMBL19505137 0.91 ADORA1 (0.41) ADORA1LMNATRPC4TRPC5TRPC1
SCHEMBL19505488 0.85 TRPC5 (0.45) TRPC4TRPC5TRPC1P2RX3KCNH2
SCHEMBL19560542 0.85 TRPC4 (0.44) ADORA1TRPC4TRPC5TRPC1MAPT
SCHEMBL19505409 0.82 ADORA1 (0.39) ADORA1LMNATRPC4TRPC5TRPC1
SCHEMBL19505236 0.82 TRPC5 (0.41) ADORA1LMNAHTTTRPC4TRPC5
SCHEMBL21316296 0.81 TRPC5 (0.45) ADORA1TRPC4TRPC5TRPC1TP53
SCHEMBL19505599 0.81 GRIN2B (0.38) ADORA1TRPC4TRPC5TRPC1P2RX3
SCHEMBL21499635 0.81 P2RX3 (0.43) LMNAHTTTRPC4TRPC5TRPC1
SCHEMBL19374704 0.79 TRPC4 (0.42) TRPC4TRPC5TRPC1P2RX3KCNH2
SCHEMBL21316291 0.78 TRPC5 (0.54) TRPC4TRPC5TRPC1P2RX3PPARG

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 5 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-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 (4 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 ADORA1 841/4885LMNA 704/4885HTT 1025/4885
US-20170305910-A1 Substituted Xanthines and Methods of Use Thereof TRPC5, TRPC7, TRPC4 ADORA1 841/4885LMNA 704/4885HTT 1025/4885
US-11208409-B2 Substituted xanthines and methods of use thereof TRPC5, TRPC7, TRPC4 ADORA1 841/4885LMNA 704/4885HTT 1025/4885
US-20190322667-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 ADORA1 841/4885LMNA 704/4885HTT 1025/4885

“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.

Send feedback