SCHEMBL20125086

SCHEMBL20125086

Cc1ccc2ncc(-c3n[nH]c(C)n3)n2c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44
TGFBR1 P36897 2/20 0.41
EIF2AK4 Q9P2K8 3/20 0.40
COMT P21964 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
FLT3 P36888 2/20 0.36
TP53 P04637 1/20 0.34
NR1H4 Q96RI1 3/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL15829283 0.83 EIF2AK4 (0.46) TGFBR1EIF2AK4
SCHEMBL19737585 0.83 EIF2AK4 (0.39) PRMT5WDR77TGFBR1EIF2AK4
SCHEMBL22958682 0.72 CYP1A2 (0.41) CYP1A2CYP2C9EIF2AK4KDM4EGLA
SCHEMBL21083338 0.71 CYP1A2 (0.42) CYP1A2CYP2C9PRMT5WDR77TGFBR1
SCHEMBL26358849 0.70 FLT3 (0.49) CYP1A2CYP2C9TGFBR1FLT3
SCHEMBL12998305 0.69 CHEK1 (0.54) CYP1A2CYP2C9PRMT5WDR77KDM4E
SCHEMBL10238918 0.68 CYP1A2 (0.56) CYP1A2CYP2C9PRMT5WDR77TGFBR1
SCHEMBL17055676 0.68 FLT3 (0.58) CYP1A2CYP2C9PRMT5WDR77ALDH1A1
SCHEMBL3832037 0.66 CYP1A2 (0.43) CYP1A2CYP2C9PRMT5WDR77KDM4E
SCHEMBL25148964 0.66 FYN (0.52) CYP1A2CYP2C9PRMT5WDR77FLT3

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-20200055823-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2020-02-20 US disclosed
EP-3318557-A2 QUINOLONE COMPOUND Otsuka Pharmaceutical Co., Ltd. (JP) 2018-05-09 EP 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-20200055823-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 CYP1A2 252/4885CYP2C9 357/4885PRMT5 3745/4885

“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.