SCHEMBL4155877

SCHEMBL4155877

COc1cc([N+](=O)[O-])ccc1C(C#N)=CN(C)C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.47
MAPT P10636 5/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
GAA P10253 1/20 0.45
PKM P14618 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 3/20 0.41
GLA P06280 1/20 0.41
LMNA P02545 3/20 0.40
KCNMA1 Q12791 2/20 0.40
ERN1 O75460 1/20 0.39
CYP19A1 P11511 1/20 0.39
PTGS2 P35354 1/20 0.39

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
SCHEMBL4155875 1.00 HTT (0.47) HTTMAPTMEN1KMT2AGAA
SCHEMBL3589865 0.83 CYP3A4 (0.46) HTTMAPTMEN1KMT2ATDP1
SCHEMBL3589862 0.83 CYP3A4 (0.46) HTTMAPTMEN1KMT2ATDP1
SCHEMBL4345319 0.82 KMT2A (0.54) HTTMAPTKMT2AGAATDP1
SCHEMBL4345317 0.82 KMT2A (0.54) HTTMAPTKMT2AGAATDP1
SCHEMBL3589274 0.76 CYP1A2 (0.48) HTTMAPTMEN1KMT2ATDP1
SCHEMBL3594651 0.76 CYP1A2 (0.48) HTTMAPTMEN1KMT2ATDP1
SCHEMBL3589279 0.76 CYP1A2 (0.48) HTTMAPTMEN1KMT2ATDP1
SCHEMBL16442406 0.74 MAPT (0.56) HTTMAPTMEN1KMT2APKM
Water SCHEMBL10360760 0.74 HTT (0.58) HTTMAPTPKMTDP1ALDH1A1

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
US-20090118277-A1 3 Unsubstituted N-(aryl- or heteroaryl)-pyrazolo[1,5-a]pyrimidines as Kinase Inhibitors NOVARTIS AG 2009-05-07 US disclosed
EP-2004652-A1 3-UNSUBSTITUTED N-(ARYL- OR HETEROARVL)-PYRAZOLORI Ý1,5-A¨PYRIMIDINES AS KINASE INHIBITORS Novartis AG (CH) 2008-12-24 EP disclosed
WO-2007112998-A1 3-UNSUBSTITUTED N-(ARYL- OR HETEROARVL)-PYRAZOLORI [1,5-A]PYRIMIDINES AS KINASE INHIBITORS NOVARTIS AG (CH) 2007-10-11 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 (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-20090118277-A1 3 Unsubstituted N-(aryl- or heteroaryl)-pyrazolo[1,5-a]pyrimidines as Kinase Inhibitors TIE1, TEK, MATK HTT 2008/4885MAPT 1454/4885MEN1 1723/4885

“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.