SCHEMBL16440384

SCHEMBL16440384

Cc1ccc(-c2csc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)n2)s1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.73
▸ SMN1; SMN2 Q16637 2/20 0.71
▸ LMNA P02545 1/20 0.71
▸ RXFP1 Q9HBX9 3/20 0.64
▸ GAA P10253 1/20 0.59
▸ CYP1A2 P05177 1/20 0.58
▸ HSD17B10 Q99714 1/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ TSHR P16473 1/20 0.56
▸ ATM Q13315 1/20 0.56
▸ MEN1 O00255 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ PORCN Q9H237 2/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ TRPA1 O75762 1/20 0.54
▸ TP53 P04637 1/20 0.54

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
SCHEMBL16434111 0.92 MAPT (0.63) MAPTSMN1; SMN2LMNARXFP1GAA
SCHEMBL10114670 0.87 MAPT (0.82) MAPTSMN1; SMN2LMNARXFP1CYP1A2
SCHEMBL18166618 0.87 MAPT (0.79) MAPTSMN1; SMN2LMNARXFP1CYP1A2
SCHEMBL9972920 0.86 MAPT (0.77) MAPTSMN1; SMN2LMNARXFP1CYP1A2
SCHEMBL16434502 0.85 MAPT (0.55) MAPTSMN1; SMN2LMNARXFP1GAA
SCHEMBL18166649 0.85 SMN1; SMN2 (0.82) MAPTSMN1; SMN2LMNARXFP1CYP1A2
SCHEMBL3265924 0.85 MAPT (0.71) MAPTSMN1; SMN2LMNARXFP1CYP1A2
SCHEMBL18166643 0.85 RXFP1 (0.72) MAPTSMN1; SMN2LMNARXFP1CYP1A2
SCHEMBL27793543 0.85 MAPT (0.79) MAPTSMN1; SMN2LMNARXFP1CYP1A2
SCHEMBL18166709 0.85 SMN1; SMN2 (0.73) MAPTSMN1; SMN2LMNARXFP1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3663295-A1 2,6-DIOXO,-2,3-DIHYDRO-1H-PURINE COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO THE ACTIVITY OF THE TRPA1 CHANNEL ELI LILLY AND CO. (US) 2020-06-10 — — EP disclosed
EP-3184527-A1 2,6-DIOXO,-2,3-DIHYDRO-1H-PURINE COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO THE ACTIVITY OF THE TRPA1 CHANNEL Hydra Biosciences, Inc. (US) 2017-06-28 — — EP disclosed
US-20170066759-A1 AROMATIC 5-MEMBERED HETEROCYCLIC DERIVATIVE HAVING TRPV4-INHIBITING ACTIVITY SHIONOGI & CO (JP) 2017-03-09 — — US disclosed
US-9499533-B2 Aromatic 5-membered heterocyclic derivative having TRPV4-Inhibiting activity SHIONOGI & CO., LTD. (JP) 2016-11-22 — — US disclosed
EP-2170309-B1 2,6-DIOXO,-2,3-DIHYDRO-1H-PURINE COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO THE ACTIVITY OF THE TRPA1 CHANNEL HYDRA BIOSCIENCES INC (US) 2016-10-26 — — EP disclosed
US-20150038483-A1 AROMATIC 5-MEMBERED HETEROCYCLIC DERIVATIVE HAVING TRPV4-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2015-02-05 — — US disclosed
CN-101801362-B Methods and compositions for treating disorders HYDRA BIOSCIENCES INC 2014-01-22 — — CN disclosed
CN-101801362-A methods and compositions for treating disorders HYDRA BIOSCIENCES INC 2010-08-11 — — CN 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 (2 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-20170066759-A1 AROMATIC 5-MEMBERED HETEROCYCLIC DERIVATIVE HAVING TRPV4-INHIBITING ACTIVITY TRPV4, TRPC4, TRPV2 MAPT 4306/4885SMN1; SMN2 3980/4885LMNA 2584/4885
US-20150038483-A1 AROMATIC 5-MEMBERED HETEROCYCLIC DERIVATIVE HAVING TRPV4-INHIBITING ACTIVITY TRPV4, TRPC4, TRPV2 MAPT 4306/4885SMN1; SMN2 3980/4885LMNA 2584/4885

“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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