SCHEMBL19505327

SCHEMBL19505327

CN1COCNC(=O)c2c1nc(S(=O)(=O)NC1CC1)n2Cc1ccc(Cl)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.35
▸ PARG Q86W56 3/20 0.34
▸ PDE1A P54750 1/20 0.34
▸ PDE1B Q01064 1/20 0.34
▸ PDE1C Q14123 1/20 0.34
▸ KIT P10721 5/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA2B P29275 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ P2RX3 P56373 1/20 0.32
▸ LMNA P02545 3/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ MAPT P10636 2/20 0.31

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
SCHEMBL16079043 0.70 ATM (0.58) HTTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL21889017 0.67 LMNA (0.38) HTTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL21316287 0.62 ALDH1A1 (0.35) MEN1KMT2AP2RX3MAPT
SCHEMBL23340326 0.57 F10 (0.41) MEN1CYP3A4CYP2D6KMT2ALMNA
SCHEMBL2178427 0.57 KDM4E (0.68) HTTCYP3A4RECQLKMT2ASMN1; SMN2
SCHEMBL23340547 0.55 RAB9A (0.50) HTTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL9015423 0.54 KDM4E (0.58) HTTCYP3A4RECQLKMT2ALMNA
SCHEMBL14842518 0.54 KDM4E (0.58) HTTCYP3A4RECQLKMT2ASMN1; SMN2
SCHEMBL8272934 0.54 SMN1; SMN2 (0.61) HTTKITMEN1CYP3A4RECQL
SCHEMBL7252974 0.53 CA12 (0.43) HTTPARGMEN1CYP3A4CYP2C19

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20170305910-A1 Substituted Xanthines and Methods of Use Thereof TRPC5, TRPC7, TRPC4 HTT 1025/4885PARG 2408/4885PDE1A 961/4885

“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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