SCHEMBL4656705

SCHEMBL4656705

COc1ccc([N+](=O)[O-])cc1C(=O)C=CN(C)C

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.56
ALDH1A1 P00352 6/20 0.56
HTT P42858 4/20 0.56
RAB9A P51151 1/20 0.56
LMNA P02545 3/20 0.53
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
NPC1 O15118 1/20 0.47
KCNMA1 Q12791 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KRAS P01116 2/20 0.45
POLB P06746 2/20 0.45
MAPK1 P28482 2/20 0.45
GLA P06280 1/20 0.45
BLM P54132 1/20 0.45
PKM P14618 1/20 0.45

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
SCHEMBL4656702 1.00 MAPT (0.56) MAPTALDH1A1HTTRAB9ALMNA
SCHEMBL16442406 0.90 MAPT (0.56) MAPTALDH1A1HTTRAB9ALMNA
SCHEMBL5578164 0.86 ALDH1A1 (0.48) MAPTALDH1A1HTTLMNATDP1
SCHEMBL30554494 0.83 ALDH1A1 (0.55) MAPTALDH1A1HTTRAB9ALMNA
SCHEMBL27444516 0.83 ALDH1A1 (0.55) MAPTALDH1A1HTTRAB9ALMNA
SCHEMBL30407930 0.82 L3MBTL1 (0.62) MAPTALDH1A1HTTRAB9ALMNA
SCHEMBL29206929 0.82 L3MBTL1 (0.62) MAPTALDH1A1HTTRAB9ALMNA
SCHEMBL25338025 0.81 ALDH1A1 (0.59) MAPTALDH1A1HTTRAB9ATDP1
SCHEMBL5808935 0.81 MAPT (0.60) MAPTALDH1A1HTTRAB9ALMNA
SCHEMBL5808929 0.81 MAPT (0.60) MAPTALDH1A1HTTRAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1996594-A2 PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-12-03 EP disclosed
WO-2007109093-A2 PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF WYETH (US) 2007-09-27 WO disclosed
US-20070219186-A1 Pyrazolo[1,5-A]pyrimidine derivatives and methods of use thereof WYETH (US) 2007-09-20 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-20070219186-A1 Pyrazolo[1,5-A]pyrimidine derivatives and methods of use thereof DPYD, TYMP, TYMS MAPT 3940/4885ALDH1A1 253/4885HTT 3552/4885

“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.