SCHEMBL22801025

SCHEMBL22801025

CC(C)(C)c1ccc(C(=O)Nc2nc(-c3cccc(-c4ccc(C#N)cc4)c3)cs2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.56
KMT2A Q03164 6/20 0.56
ATM Q13315 1/20 0.56
MAPT P10636 6/20 0.53
MEN1 O00255 5/20 0.53
HTT P42858 3/20 0.53
GAA P10253 2/20 0.53
SMN1; SMN2 Q16637 4/20 0.51
ALDH1A1 P00352 3/20 0.51
LMNA P02545 3/20 0.51
RRM1 P23921 2/20 0.50
RRM2B Q7LG56 2/20 0.50
SCD O00767 1/20 0.50
PKM P14618 1/20 0.49
HPGD P15428 1/20 0.49
ALOX12 P18054 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
CSNK2A2 P19784 1/20 0.48
CSNK2B P67870 1/20 0.48
CSNK2A1 P68400 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
SCHEMBL22801111 0.88 KDM4E (0.53) KDM4EKMT2AATMMAPTMEN1
SCHEMBL22801049 0.85 SCD (0.51) KDM4EKMT2AMAPTMEN1HTT
SCHEMBL22801093 0.82 KDM4E (0.52) KDM4EKMT2AMAPTMEN1HTT
SCHEMBL22801120 0.82 MAPT (0.53) KDM4EKMT2AATMMAPTMEN1
SCHEMBL22801037 0.81 ALDH1A1 (0.50) KDM4EKMT2AATMMAPTMEN1
SCHEMBL12248866 0.80 KDM4E (0.69) KDM4EKMT2AATMMAPTMEN1
SCHEMBL5731231 0.80 KDM4E (0.69) KDM4EKMT2AATMMAPTMEN1
SCHEMBL2754074 0.80 KDM4E (0.78) KDM4EKMT2AATMMAPTMEN1
SCHEMBL22822367 0.79 KDM4E (0.51) KDM4EKMT2AATMMAPTMEN1
SCHEMBL12249036 0.79 KDM4E (0.70) KDM4EKMT2AATMMAPTMEN1

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 KDM4E 453/4885KMT2A 2006/4885ATM 4295/4885

“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.