SCHEMBL22016175

SCHEMBL22016175

CCC(C)c1cc2ccncc2n(C)c1=O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.38
MAPT P10636 3/20 0.37
CRHR1 P34998 4/20 0.35
NAMPT P43490 1/20 0.35
SRC P12931 1/20 0.34
BTK Q06187 1/20 0.34
KDM5A P29375 1/20 0.34
AOC3 Q16853 1/20 0.34
METAP2 P50579 1/20 0.33
GABRA5 P31644 1/20 0.33
QRFPR Q96P65 1/20 0.33
GRM2 Q14416 1/20 0.33
TOP2A P11388 1/20 0.32

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
SCHEMBL22016213 0.85 MAPT (0.40) AAK1MAPTNAMPTSRCBTK
SCHEMBL24312244 0.78 MAPT (0.41) AAK1MAPTNAMPTBTKKDM5A
SCHEMBL22016173 0.74 BRD1 (0.41) AAK1SRCBTK
SCHEMBL24312103 0.73 HASPIN (0.44) MAPTNAMPTGABRA5QRFPRTOP2A
SCHEMBL29856207 0.69 MAPT (0.44) MAPTNAMPTQRFPRTOP2A
SCHEMBL14327804 0.69 MAPT (0.44) MAPTNAMPTAOC3TOP2A
SCHEMBL29856743 0.69 MAPT (0.44) MAPTNAMPTAOC3TOP2A
SCHEMBL20313755 0.69 NR3C1 (0.40)
SCHEMBL35211579 0.69 KDM4E (0.48) MAPTNAMPTQRFPRTOP2A
SCHEMBL24925368 0.68 RORC (0.44)

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 3 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-11116760-B2 Quinoline derivatives GILEAD SCIENCES, INC. (US) 2021-09-14 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 (3 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 AAK1 3444/4885MAPT 949/4885CRHR1 3329/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 AAK1 3444/4885MAPT 949/4885CRHR1 3329/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 AAK1 3444/4885MAPT 949/4885CRHR1 3329/4885

“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.