SCHEMBL22017129

SCHEMBL22017129

CCCCCc1nc2c(n(C)c1=O)CCC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
ADRA1B P35368 1/20 0.34
RAB9A P51151 7/20 0.33
NPC1 O15118 6/20 0.33
LMNA P02545 6/20 0.33
SLC2A1 P11166 5/20 0.33
HTT P42858 5/20 0.33
SMN1; SMN2 Q16637 5/20 0.33
NPSR1 Q6W5P4 4/20 0.33
S1PR2 O95136 2/20 0.33
ALDH1A1 P00352 2/20 0.33
NR2F2 P24468 2/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 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
SCHEMBL22016487 0.69 TSHR (0.35) MEN1KMT2AHTTTSHR
SCHEMBL22016174 0.67 PLK1 (0.34) KMT2ARXFP1
SCHEMBL22016209 0.67 ALDH1A1 (0.35) MEN1KMT2ALMNAHTTSMN1; SMN2
SCHEMBL11711827 0.65 MEN1 (1.00) MEN1KMT2ALMNAHTTALDH1A1
SCHEMBL24312044 0.64 RXFP1 (0.33) KMT2AKDM4ERXFP1
SCHEMBL22016171 0.64 KDM4E (0.38) MEN1KMT2ALMNAHTTSMN1; SMN2
SCHEMBL9570042 0.63 RAB9A (0.43) MEN1KMT2ARAB9ANPC1LMNA
SCHEMBL11717674 0.63 KMT2A (0.83) MEN1KMT2ALMNAHTTNPSR1
SCHEMBL9570306 0.62 AGTR1 (0.39) MEN1KMT2ARAB9ANPC1LMNA
SCHEMBL1989662 0.60 MEN1 (0.40) MEN1KMT2AALDH1A1GABRA1GABRG2

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 MEN1 2786/4885KMT2A 2755/4885ADRA1A 768/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 MEN1 2786/4885KMT2A 2755/4885ADRA1A 768/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 MEN1 2786/4885KMT2A 2755/4885ADRA1A 768/4885

“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.