SCHEMBL22801102

SCHEMBL22801102

CSc1ncccc1C(=O)Nc1nc(-c2cccc(Nc3ccc(C#N)cc3)c2)cs1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.51
MAPT P10636 7/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 3/20 0.46
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
SLC2A1 P11166 1/20 0.45
GAA P10253 2/20 0.44
CSNK2A2 P19784 1/20 0.44
CSNK2B P67870 1/20 0.44
CSNK2A1 P68400 1/20 0.44
CSNK2A3 Q8NEV1 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ROCK2 O75116 1/20 0.44
KMT2A Q03164 3/20 0.44

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
SCHEMBL22801045 0.94 CSNK2A2 (0.49) CFTRMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL22822211 0.90 MAPT (0.54) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL22801029 0.90 MAPT (0.47) CFTRMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL22801034 0.90 KDM4E (0.50) CFTRMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL22801060 0.90 MAPT (0.44) CFTRMAPTNPC1RAB9AALDH1A1
SCHEMBL22801071 0.90 KMT2A (0.46) CFTRMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL22801092 0.87 MAPT (0.48) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL22801090 0.87 CSNK2A2 (0.54) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL22801077 0.87 MAPT (0.46) CFTRMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL22801107 0.86 SLC2A1 (0.48) CFTRMAPTNPC1RAB9ASMN1; SMN2

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 CFTR 4712/4885MAPT 347/4885NPC1 1860/4885

“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.