SCHEMBL21050866

SCHEMBL21050866

Cc1nc2c(O)c([N+](=O)[O-])cnc2c(C)c1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
GPR35 Q9HC97 4/20 0.38
ALDH1A1 P00352 5/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 4/20 0.36
CTSB P07858 3/20 0.36
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
IDO1 P14902 2/20 0.36
TDO2 P48775 2/20 0.36
GAA P10253 1/20 0.36
NQO2 P16083 1/20 0.36
CTSH P09668 1/20 0.35
TDP1 Q9NUW8 3/20 0.33
LMNA P02545 2/20 0.33
PKM P14618 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
HTT P42858 1/20 0.33
POLB P06746 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
SCHEMBL21050878 0.82 CYP1A2 (0.38) CYP1A2ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL25334906 0.78 GPR35 (0.44) CYP1A2GPR35ALDH1A1MAPTCTSB
SCHEMBL25795346 0.74 CYP1A2 (0.52) CYP1A2GPR35ALDH1A1SMN1; SMN2MAPT
SCHEMBL3581470 0.74 GPR35 (0.47) CYP1A2GPR35ALDH1A1SMN1; SMN2MAPT
SCHEMBL22576221 0.71 CYP1A2 (0.49) CYP1A2GPR35ALDH1A1SMN1; SMN2MAPT
SCHEMBL3285269 0.71 GPR35 (0.41) CYP1A2GPR35ALDH1A1MAPTCTSB
SCHEMBL14361773 0.69 ERN1 (0.44) GPR35ALDH1A1SMN1; SMN2MAPTCTSB
SCHEMBL1141287 0.68 MEN1 (0.42) CYP1A2GPR35ALDH1A1SMN1; SMN2MAPT
SCHEMBL30218189 0.68 GPR35 (0.46) GPR35ALDH1A1SMN1; SMN2MAPTCTSB
SCHEMBL1625297 0.66 LMNA (0.36) CYP1A2ALDH1A1MAPTKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10597405-B2 Chemical compounds ASTRAZENECA AB (SE) 2020-03-24 US disclosed
US-20190177338-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2019-06-13 US disclosed
WO-2019110751-A1 TETRACYCLIC COMPOUNDS AS INHIBITORS OF G12C MUTANT RAS PROTEIN, FOR USE AS ANTI-CANCER AGENTS ASTRAZENECA AB (SE) 2019-06-13 WO disclosed
US-20190177338-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2019-06-13 US disclosed
WO-2019110751-A1 TETRACYCLIC COMPOUNDS AS INHIBITORS OF G12C MUTANT RAS PROTEIN, FOR USE AS ANTI-CANCER AGENTS ASTRAZENECA AB (SE) 2019-06-13 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 (2 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-20190177338-A1 CHEMICAL COMPOUNDS MKI67, CCNI, MCL1 CYP1A2 106/4885GPR35 3359/4885ALDH1A1 26/4885
US-10597405-B2 Chemical compounds MKI67, CCNI, MCL1 CYP1A2 106/4885GPR35 3359/4885ALDH1A1 26/4885

“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.