SCHEMBL22016863

SCHEMBL22016863

CSc1cn(C)c(=O)n(C)c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
TSHR P16473 3/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 2/20 0.33
AOC3 Q16853 1/20 0.33
PIK3CD O00329 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CNR1 P21554 1/20 0.33
ACHE P22303 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
NTSR1 P30989 1/20 0.33
MC3R P41968 1/20 0.33
NOTUM Q6P988 1/20 0.33
SIRT3 Q9NTG7 1/20 0.33
GDA Q9Y2T3 1/20 0.33

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
SCHEMBL480683 0.68 LMNA (0.39) LMNATSHRHTTSMN1; SMN2KDM4E
SCHEMBL566202 0.68 GAA (0.43) LMNATSHRHTTSMN1; SMN2KDM4E
SCHEMBL1689852 0.68 LMNA (0.39) LMNATSHRHTTSMN1; SMN2KDM4E
SCHEMBL1527119 0.68 TSHR (0.39) LMNATSHRHTTSMN1; SMN2KDM4E
SCHEMBL3189250 0.68 TSHR (0.44) LMNATSHRHTTSMN1; SMN2KDM4E
SCHEMBL3806350 0.68 ERN1 (0.42) LMNATSHRHTTSMN1; SMN2KDM4E
SCHEMBL12838844 0.67 KMT2A (0.40) LMNATSHRHTTSMN1; SMN2ADORA2A
SCHEMBL12766925 0.65 LMNA (0.40) LMNATSHRHTTSMN1; SMN2ALDH1A1
SCHEMBL17254245 0.65 ERN1 (0.37) LMNATSHRHTTSMN1; SMN2KDM4E
SCHEMBL10794183 0.65 KMT2A (0.39) LMNATSHRHTTSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230041518-A1 QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. 2023-02-09 US disclosed
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS GILEAD SCIENCES, INC. 2022-04-21 US disclosed
US-11116760-B2 Quinoline derivatives GILEAD SCIENCES, INC. (US) 2021-09-14 US disclosed
US-20200165248-A1 IMIDAZOPYRIDINE DERIVATIVES GILEAD SCIENCES, INC. 2020-05-28 US disclosed
US-20200155538-A1 QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. 2020-05-21 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 (5 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-20230041518-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 LMNA 2900/4885TSHR 4616/4885HTT 971/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 LMNA 2900/4885TSHR 4616/4885HTT 971/4885
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B LMNA 2991/4885TSHR 4008/4885HTT 4584/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 LMNA 2900/4885TSHR 4616/4885HTT 971/4885
US-20200165248-A1 IMIDAZOPYRIDINE DERIVATIVES TPMT, IRAK4, CFTR LMNA 3638/4885TSHR 3135/4885HTT 2540/4885

“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.