SCHEMBL22016487

SCHEMBL22016487

CCC(C)c1nc2c(n(C)c1=O)CCC2

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PLK1 P53350 1/20 0.31
CSNK2A1 P68400 1/20 0.31
PLK3 Q9H4B4 1/20 0.31
HTT P42858 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL22016174 0.84 PLK1 (0.34) KMT2APLK1CSNK2A1PLK3
SCHEMBL24312044 0.81 RXFP1 (0.33) KMT2APLK1CSNK2A1PLK3
SCHEMBL22017129 0.69 MEN1 (0.48) TSHRMEN1KMT2AHTT
SCHEMBL22016209 0.68 ALDH1A1 (0.35) MEN1KMT2APLK1CSNK2A1PLK3
SCHEMBL22593916 0.65 RAB9A (0.34) MEN1KMT2AHTT
SCHEMBL22016171 0.65 KDM4E (0.38) TSHRMEN1KMT2AHTTHSD17B10
SCHEMBL31300305 0.64 KDM4E (0.51) TSHRMEN1KMT2AHTTHSD17B10
SCHEMBL10252360 0.63 KDM4E (0.36) TSHR
SCHEMBL24575215 0.63 KMT2A (0.33) TSHRKMT2A
SCHEMBL10849217 0.62 CRHR1 (0.30)

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 TSHR 4616/4885MEN1 2786/4885KMT2A 2755/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 TSHR 4616/4885MEN1 2786/4885KMT2A 2755/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 TSHR 4616/4885MEN1 2786/4885KMT2A 2755/4885

“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.