SCHEMBL22801044

SCHEMBL22801044

CSc1ncccc1C(=O)Nc1nc(-c2cccc(-c3ccncc3)c2)cs1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.56
ROCK1 Q13464 1/20 0.53
MAPT P10636 5/20 0.53
KDM4E B2RXH2 2/20 0.53
SLC2A1 P11166 1/20 0.53
PARP1 P09874 1/20 0.51
MEN1 O00255 5/20 0.51
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
LMNA P02545 3/20 0.51
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
PKM P14618 2/20 0.51
HTT P42858 1/20 0.49
THRB P10828 1/20 0.49
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL22801068 0.95 SLC2A1 (0.56) KMT2AROCK1MAPTKDM4ESLC2A1
SCHEMBL22801114 0.91 RAB9A (0.51) KMT2AMAPTKDM4ESLC2A1MEN1
SCHEMBL22801030 0.90 SLC2A1 (0.63) KMT2AMAPTKDM4ESLC2A1MEN1
SCHEMBL22801041 0.90 SLC2A1 (0.48) KMT2AMAPTKDM4ESLC2A1MEN1
SCHEMBL22801061 0.90 SLC2A1 (0.48) KMT2AMAPTKDM4ESLC2A1MEN1
SCHEMBL22801024 0.89 KMT2A (0.49) KMT2AMAPTKDM4ESLC2A1MEN1
SCHEMBL22801034 0.89 KDM4E (0.50) KMT2AMAPTKDM4ESLC2A1MEN1
SCHEMBL22801090 0.88 CSNK2A2 (0.54) KMT2AROCK1MAPTKDM4ESLC2A1
SCHEMBL22801109 0.87 KMT2A (0.50) KMT2AMAPTKDM4ESLC2A1MEN1
SCHEMBL22801129 0.87 KMT2A (0.52) KMT2AROCK1MAPTKDM4ESLC2A1

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 KMT2A 2006/4885ROCK1 3223/4885MAPT 347/4885

“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.