SCHEMBL22016213

SCHEMBL22016213

CC(C)c1cc2ccncc2n(C)c1=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
BTK Q06187 3/20 0.39
SRC P12931 2/20 0.39
BRD1 O95696 2/20 0.39
BRPF1 P55201 2/20 0.39
BRPF3 Q9ULD4 2/20 0.39
AAK1 Q2M2I8 3/20 0.38
GABRA5 P31644 1/20 0.36
NAMPT P43490 1/20 0.35
DAO P14920 1/20 0.35
TOP2A P11388 1/20 0.35
BRD9 Q9H8M2 1/20 0.34
CYP19A1 P11511 1/20 0.34
KCNH2 Q12809 1/20 0.34
LYN P07948 1/20 0.34
HASPIN Q8TF76 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
SCHEMBL22016173 0.88 BRD1 (0.41) BTKSRCBRD1BRPF1BRPF3
SCHEMBL22016175 0.85 AAK1 (0.38) MAPTBTKSRCAAK1GABRA5
SCHEMBL24312103 0.78 HASPIN (0.44) MAPTGABRA5NAMPTDAOTOP2A
SCHEMBL29856743 0.77 MAPT (0.44) MAPTNAMPTTOP2ACYP19A1KCNH2
SCHEMBL19737524 0.77 DAO (0.59) MAPTBRD1BRPF1BRPF3DAO
SCHEMBL14327804 0.77 MAPT (0.44) MAPTNAMPTTOP2ACYP19A1KCNH2
SCHEMBL24312244 0.76 MAPT (0.41) MAPTBTKBRPF1AAK1GABRA5
SCHEMBL35211579 0.73 KDM4E (0.48) MAPTNAMPTDAOTOP2AHASPIN
SCHEMBL17120948 0.71 SRC (0.45) BTKSRCBRD1BRPF1BRPF3
SCHEMBL10151406 0.71 MAPT (0.47) MAPTNAMPTTOP2ACYP19A1KCNH2

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 6 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-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-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 (6 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 MAPT 3224/4885BTK 132/4885SRC 384/4885
US-11179383-B2 Compounds for inhibition of α4β7 integrin ITGB7, ITGB4, ITGA4 MAPT 3196/4885BTK 86/4885SRC 498/4885
US-20230041518-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 MAPT 949/4885BTK 399/4885SRC 2006/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 MAPT 949/4885BTK 399/4885SRC 2006/4885
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B MAPT 2929/4885BTK 93/4885SRC 611/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 MAPT 949/4885BTK 399/4885SRC 2006/4885

“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.