SCHEMBL15340799

SCHEMBL15340799

O=COc1cc2cccc([N+](=O)[O-])c2o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.54
ALDH1A1 P00352 1/20 0.40
PDE10A Q9Y233 1/20 0.40
CHRNA7 P36544 1/20 0.38
GPR35 Q9HC97 3/20 0.38
APEX1 P27695 2/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
TDP1 Q9NUW8 3/20 0.37
CSNK2A2 P19784 1/20 0.37
CSNK2B P67870 1/20 0.37
CSNK2A1 P68400 1/20 0.37
CSNK2A3 Q8NEV1 1/20 0.37
ERN1 O75460 1/20 0.36
NOS1 P29475 2/20 0.36
NOS2 P35228 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
HPGD P15428 2/20 0.35

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
SCHEMBL5237896 0.78 MAOA (0.56) MAOAALDH1A1PDE10ACHRNA7GPR35
SCHEMBL27831089 0.77 MAOA (0.51) MAOAALDH1A1PDE10ACHRNA7GPR35
SCHEMBL11540656 0.77 MAOA (0.57) MAOAALDH1A1PDE10ACHRNA7GPR35
SCHEMBL28088702 0.76 MAOA (0.50) MAOAALDH1A1PDE10ACHRNA7GPR35
SCHEMBL7828455 0.73 MAOA (0.60) MAOAALDH1A1PDE10ACHRNA7GPR35
SCHEMBL27921417 0.73 MAOA (0.60) MAOAALDH1A1PDE10ACHRNA7GPR35
SCHEMBL28188822 0.73 MAOA (0.60) MAOAALDH1A1PDE10ACHRNA7GPR35
SCHEMBL28301342 0.73 MAOA (0.60) MAOAALDH1A1PDE10ACHRNA7GPR35
SCHEMBL7434044 0.70 TDP1 (0.50) ALDH1A1PDE10AGPR35MEN1KMT2A
SCHEMBL2897463 0.70 GPR35 (0.68) MAOAALDH1A1PDE10ACHRNA7GPR35

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-9428508-B2 2,4-diamino-6,7-dihydro-5H-pyrrolo[2,3]pyrimidine derivatives as FAK/Pyk2 inhibitors CENTAURUS BIOPHARMA CO., LTD. (CN) 2016-08-30 US disclosed
US-20130281438-A1 2,4-DIAMINO-6,7-DIHYDRO-5H-PYRROLO[2,3]PYRIMIDINE DERIVATIVES AS FAK/Pyk2 INHIBITORS CENTAURUS BIOPHARMA CO., LTD. (CN) 2013-10-24 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 (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-20130281438-A1 2,4-DIAMINO-6,7-DIHYDRO-5H-PYRROLO[2,3]PYRIMIDINE DERIVATIVES AS FAK/Pyk2 INHIBITORS PTK2B, PTK2, DAPK2 MAOA 2371/4885ALDH1A1 4337/4885PDE10A 1853/4885

“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.