SCHEMBL21101074

SCHEMBL21101074

CN(C)c1c(C(N)=O)cnc2c(-c3ccccc3)cccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.45
PARP1 P09874 3/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
BTK Q06187 1/20 0.41
RPS6KB1 P23443 1/20 0.40
MMP1 P03956 1/20 0.40
MMP9 P14780 1/20 0.40
MMP13 P45452 1/20 0.40
ADAM17 P78536 1/20 0.40
CSF1R P07333 1/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
PDE4B Q07343 1/20 0.38
ALDH1A1 P00352 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA2 P47869 1/20 0.37
PLG P00747 1/20 0.36

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
SCHEMBL21101402 0.90 KMT2A (0.44) MEN1KMT2ASMN1; SMN2MMP1MMP9
SCHEMBL21101257 0.82 SMN1; SMN2 (0.54) MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL21101077 0.77 HAVCR2 (0.42) NR1H2NR1H3HAVCR2
SCHEMBL29440739 0.77 HAVCR2 (0.42) NR1H2NR1H3HAVCR2
SCHEMBL29920721 0.76 PDE4B (0.46) MEN1KMT2ASMN1; SMN2RPS6KB1MMP1
Hydrochloric Acid SCHEMBL30853500 0.76 HAVCR2 (0.41) NR1H2NR1H3HAVCR2
Hydrochloric Acid SCHEMBL28436307 0.76 HAVCR2 (0.41) NR1H2NR1H3HAVCR2
SCHEMBL21101258 0.75 CTSA (0.37) SMN1; SMN2BTKHAVCR2
SCHEMBL11704307 0.74 HNF4A (0.45) MEN1KMT2ASMN1; SMN2NR1H2NR1H3
SCHEMBL20621754 0.74 PTPN11 (0.39) PARP1BTKRPS6KB1CSF1RNR1H2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200308153-A1 PROCESS FOR PREPARING ANTIHELMINTIC 4-AMINO-QUINOLINE-3-CARBOXAMIDE DERIVATIVES BAYER ANIMAL HEALTH GMBH (DE) 2020-10-01 US disclosed
WO-2019115768-A1 PROCESS FOR PREPARING ANTIHELMINTIC 4-AMINO-QUINOLINE-3-CARBOXAMIDE DERIVATIVES BAYER ANIMAL HEALTH GMBH (DE) 2019-06-20 WO 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 (1 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-20200308153-A1 PROCESS FOR PREPARING ANTIHELMINTIC 4-AMINO-QUINOLINE-3-CARBOXAMIDE DERIVATIVES HRH4, HRH2, HRH1 BCAT2 406/4885PARP1 2057/4885MEN1 1907/4885

“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.