SCHEMBL22801082

SCHEMBL22801082

CSc1ncccc1C(=O)Nc1nc(-c2cncc(-c3ccc(C#N)cc3)c2)cs1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
KDM4E B2RXH2 6/20 0.49
KMT2A Q03164 7/20 0.47
MEN1 O00255 5/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 1/20 0.47
PKM P14618 1/20 0.47
SLC2A1 P11166 1/20 0.46
LMNA P02545 3/20 0.44
HTT P42858 2/20 0.44
CFTR P13569 1/20 0.44
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ATM Q13315 1/20 0.43
ROCK1 Q13464 1/20 0.43

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
SCHEMBL22801034 0.91 KDM4E (0.50) MAPTKDM4EKMT2AMEN1NPC1
SCHEMBL22801038 0.89 KMT2A (0.49) MAPTKDM4EKMT2AMEN1NPC1
SCHEMBL22801059 0.88 KDM4E (0.49) MAPTKDM4EKMT2AMEN1NPC1
SCHEMBL22801026 0.87 MAPT (0.46) MAPTKDM4EKMT2AMEN1NPC1
SCHEMBL22801107 0.86 SLC2A1 (0.48) MAPTKDM4EKMT2AMEN1NPC1
SCHEMBL22801090 0.85 CSNK2A2 (0.54) MAPTKDM4EKMT2AMEN1NPC1
SCHEMBL22801056 0.85 SLC2A1 (0.53) MAPTKDM4EKMT2AMEN1NPC1
SCHEMBL22801051 0.85 LMNA (0.49) MAPTKDM4EKMT2AMEN1NPC1
SCHEMBL22801097 0.83 KMT2A (0.50) MAPTKDM4EKMT2AMEN1NPC1
SCHEMBL22801102 0.83 CFTR (0.51) MAPTKDM4EKMT2AMEN1NPC1

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-20200399264-A1 4-SUBSTITUTED-2-THIAZOLE AMIDES AS ANTIVIRAL AGENTS NATIONAL INSTITUTES OF HEALTH 2020-12-24 US disclosed
US-20200399264-A1 4-SUBSTITUTED-2-THIAZOLE AMIDES AS ANTIVIRAL AGENTS NATIONAL INSTITUTES OF HEALTH 2020-12-24 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-20200399264-A1 4-SUBSTITUTED-2-THIAZOLE AMIDES AS ANTIVIRAL AGENTS MAVS, ZC3HAV1, EIF2AK2 MAPT 347/4885KDM4E 453/4885KMT2A 2006/4885

“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.