SCHEMBL20531379

SCHEMBL20531379

O=C(O)N1CCC2(CC1)Cc1cc([N+](=O)[O-])c(N3CCOCC3)cc1O2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.42
▸ ALDH1A1 P00352 6/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ GAA P10253 3/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ CA1 P00915 3/20 0.41
▸ CA2 P00918 3/20 0.41
▸ CA7 P43166 3/20 0.41
▸ CA9 Q16790 3/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ IRAK4 Q9NWZ3 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ HTT P42858 1/20 0.40

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
SCHEMBL23110722 0.88 MAPT (0.42) MAPTALDH1A1SMN1; SMN2GAACYP1A2
SCHEMBL19030210 0.88 MAPT (0.48) MAPTALDH1A1SMN1; SMN2GAACYP1A2
SCHEMBL19030559 0.87 IRAK4 (0.46) MAPTALDH1A1SMN1; SMN2GAACYP1A2
SCHEMBL19030303 0.86 MAPT (0.46) MAPTALDH1A1SMN1; SMN2GAACYP1A2
SCHEMBL19030442 0.85 AKR1B1 (0.38) CA1CA2CA7CA9
SCHEMBL28655900 0.84 IRAK4 (0.47) MAPTALDH1A1SMN1; SMN2GAACYP1A2
SCHEMBL19030207 0.84 IRAK4 (0.51) MAPTALDH1A1SMN1; SMN2GAACYP1A2
SCHEMBL19029902 0.83 IRAK4 (0.42) SMN1; SMN2IRAK4
SCHEMBL19030539 0.82 IRAK4 (0.48) MAPTALDH1A1SMN1; SMN2GAACYP1A2
SCHEMBL19029998 0.81 LIN28A (0.47) MAPTALDH1A1SMN1; SMN2KDM4ETDP1

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-10988478-B1 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators GENENTECH, INC. (US) 2021-04-27 — — US disclosed
US-20180298015-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS GENENTECH, INC. (US) 2018-10-18 — — 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 (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-20180298015-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK1, IRAK4, IRAK2 MAPT 1916/4885ALDH1A1 1146/4885SMN1; SMN2 1821/4885
US-10988478-B1 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK1, IRAK4, IRAK2 MAPT 1916/4885ALDH1A1 1146/4885SMN1; SMN2 1821/4885

“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.

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