SCHEMBL5808929

SCHEMBL5808929

CN(C)/C=C/C(=O)c1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.60
ALDH1A1 P00352 4/20 0.60
HTT P42858 1/20 0.59
RAB9A P51151 1/20 0.59
KMT2A Q03164 5/20 0.49
RORC P51449 4/20 0.48
MEN1 O00255 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
CYP3A4 P08684 2/20 0.48
MAPK1 P28482 2/20 0.48
PPARG P37231 2/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
PKM P14618 1/20 0.48
TSHR P16473 1/20 0.48
NFKB1 P19838 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL5808935 1.00 MAPT (0.60) MAPTALDH1A1HTTRAB9AKMT2A
SCHEMBL30407930 0.84 L3MBTL1 (0.62) MAPTALDH1A1HTTRAB9AKMT2A
SCHEMBL29206929 0.84 L3MBTL1 (0.62) MAPTALDH1A1HTTRAB9AKMT2A
SCHEMBL25338025 0.83 ALDH1A1 (0.59) MAPTALDH1A1HTTRAB9AKMT2A
SCHEMBL29690096 0.83 L3MBTL1 (0.61) MAPTALDH1A1HTTRAB9AKMT2A
SCHEMBL25338029 0.83 ALDH1A1 (0.59) MAPTALDH1A1HTTRAB9AKMT2A
SCHEMBL28749149 0.83 L3MBTL1 (0.61) MAPTALDH1A1HTTRAB9AKMT2A
SCHEMBL4656705 0.81 MAPT (0.56) MAPTALDH1A1HTTRAB9AKMT2A
SCHEMBL4656702 0.81 MAPT (0.56) MAPTALDH1A1HTTRAB9AKMT2A
SCHEMBL30554494 0.80 ALDH1A1 (0.55) MAPTALDH1A1HTTRAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006033795-A2 SUBSTITUTED PYRAZOLO [1, 5-A] PYRIMIDINES FOR INHIBITING ABNORMAL CELL GROWTH WYETH (US) 2006-03-30 WO disclosed
WO-2006033796-A1 SUBSTITUTED PYRAZOLO [1,5-a] PYRIMIDINES AND PROCESS FOR MAKING SAME WYETH (US) 2006-03-30 WO disclosed
US-20060063784-A1 Method of using substituted pyrazolo [1,5-a] pyrimidines WYETH 2006-03-23 US disclosed
US-20060063785-A1 Substituted pyrazolo[1,5-a] pyrimidines and process for making same WYETH 2006-03-23 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-20060063785-A1 Substituted pyrazolo[1,5-a] pyrimidines and process for making same TYMP, DPYD, TYMS MAPT 3174/4885ALDH1A1 848/4885HTT 2696/4885
US-20060063784-A1 Method of using substituted pyrazolo [1,5-a] pyrimidines TYMP, DPYD, TYMS MAPT 4164/4885ALDH1A1 847/4885HTT 2314/4885

“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.