SCHEMBL22016188

SCHEMBL22016188

CC(C)Nc1nccc2ccncc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LATS1 O95835 1/20 0.48
LATS2 Q9NRM7 1/20 0.48
WNT3A P56704 1/20 0.44
LRRK2 Q5S007 1/20 0.41
AOC1 P19801 2/20 0.40
AOC3 Q16853 2/20 0.40
FDPS P14324 1/20 0.40
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HTT P42858 1/20 0.38
CLK1 P49759 1/20 0.38
DYRK1A Q13627 1/20 0.38
FLT3 P36888 2/20 0.37
HIPK2 Q9H2X6 1/20 0.37
KRAS P01116 1/20 0.37
SOS1 Q07889 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
PRKCH P24723 1/20 0.37

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
SCHEMBL802013 0.80 LATS1 (0.47) LATS1LATS2AOC1AOC3LMNA
SCHEMBL31098972 0.80 FDPS (0.59) LRRK2FDPSLMNASMN1; SMN2HTT
SCHEMBL10129426 0.80 FDPS (0.59) LRRK2FDPSLMNASMN1; SMN2HTT
SCHEMBL27692880 0.79 LATS1 (0.47) LATS1LATS2WNT3AAOC1AOC3
SCHEMBL10266509 0.78 LATS1 (0.48) LATS1LATS2WNT3AAOC1AOC3
SCHEMBL19496864 0.77 SMN1; SMN2 (0.41) LATS1LATS2WNT3ALRRK2FDPS
SCHEMBL29650587 0.72 LATS1 (0.56) LATS1LATS2LMNASMN1; SMN2HTT
SCHEMBL27405404 0.72 KRAS (0.41) LRRK2FDPSLMNASMN1; SMN2HTT
SCHEMBL7713829 0.72 CLK1 (0.41) WNT3ALMNAHTTCLK1DYRK1A
SCHEMBL31345201 0.72 CLK1 (0.41) WNT3ALMNAHTTCLK1DYRK1A

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 9 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-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. (US) 2022-05-19 US disclosed
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS GILEAD SCIENCES, INC. 2022-04-21 US disclosed
US-11224600-B2 Compounds for inhibition of alpha 4 beta 7 integrin GILEAD SCIENCES, INC. (US) 2022-01-18 US disclosed
US-11179383-B2 Compounds for inhibition of α4β7 integrin GILEAD SCIENCES, INC. (US) 2021-11-23 US disclosed
US-11116760-B2 Quinoline derivatives GILEAD SCIENCES, INC. (US) 2021-09-14 US disclosed
US-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin GILEAD SCIENCES, INC. 2020-05-28 US disclosed
US-20200155563-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. 2020-05-21 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 (9 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-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin ITGB7, ITGB4, ITGA4 LATS1 3752/4885LATS2 3444/4885WNT3A 1194/4885
US-11179383-B2 Compounds for inhibition of α4β7 integrin ITGB7, ITGB4, ITGA4 LATS1 3809/4885LATS2 3275/4885WNT3A 945/4885
US-20230041518-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 LATS1 4710/4885LATS2 4587/4885WNT3A 3294/4885
US-20200155563-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 LATS1 3752/4885LATS2 3444/4885WNT3A 1194/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 LATS1 4710/4885LATS2 4587/4885WNT3A 3294/4885
US-11224600-B2 Compounds for inhibition of alpha 4 beta 7 integrin ITGB7, ITGB4, ITGA4 LATS1 3752/4885LATS2 3444/4885WNT3A 1194/4885
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B LATS1 4135/4885LATS2 3582/4885WNT3A 1805/4885
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 LATS1 3752/4885LATS2 3444/4885WNT3A 1194/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 LATS1 4710/4885LATS2 4587/4885WNT3A 3294/4885

“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.