SCHEMBL3248668

SCHEMBL3248668

COc1ccc(Br)cc1C(=O)c1cnc(Cl)nc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
MAPT P10636 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
GFER P55789 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MALT1 Q9UDY8 1/20 0.42
POLB P06746 4/20 0.41
KDM4E B2RXH2 3/20 0.40
GAA P10253 1/20 0.40
RECQL P46063 1/20 0.40
STAT3 P40763 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 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
SCHEMBL5001832 0.85 CDK1 (0.45) ALDH1A1MAPTSMN1; SMN2POLBKDM4E
SCHEMBL4997964 0.81 CNR2 (0.48) SMN1; SMN2POLBGAAKMT2AMEN1
SCHEMBL3254162 0.79 MAPT (0.41) ALDH1A1MAPTSMN1; SMN2CYP1A2CYP2C9
SCHEMBL4979922 0.75 TUBB4A (0.46)
SCHEMBL4348130 0.73 EGFR (0.46) ALDH1A1MAPTSMN1; SMN2KDM4EGAA
SCHEMBL10323541 0.73 MAPT (0.43) ALDH1A1MAPTPOLBKDM4EGAA
SCHEMBL13492133 0.73 ALDH1A1 (0.52) ALDH1A1MAPTSMN1; SMN2CYP1A2CYP2C9
SCHEMBL3253017 0.73 ALDH1A1 (0.39) ALDH1A1MAPTSMN1; SMN2GFERHSD17B10
SCHEMBL5754708 0.71 MAPT (0.65) ALDH1A1MAPTSMN1; SMN2CYP1A2CYP2C9
SCHEMBL2854950 0.71 ALDH1A1 (0.47) ALDH1A1MAPTSMN1; SMN2CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1833477-B1 PYRAZOLO-HETEROARYL COMPOUNDS USEFUL TO TREAT TNF-ALPHA AND IL-1 MEDIATED DISEASES NOVARTIS AG (CH) 2010-06-02 EP disclosed
EP-1833477-B1 PYRAZOLO-HETEROARYL COMPOUNDS USEFUL TO TREAT TNF-ALPHA AND IL-1 MEDIATED DISEASES NOVARTIS AG (CH) 2010-06-02 EP disclosed
US-20090258874-A1 PYRAZOLO-HETEROARYL COMPOUNDS NOVARTIS AG (CH) 2009-10-15 US disclosed
US-20090258874-A1 PYRAZOLO-HETEROARYL COMPOUNDS NOVARTIS AG (CH) 2009-10-15 US disclosed
US-20090258874-A1 PYRAZOLO-HETEROARYL COMPOUNDS NOVARTIS AG (CH) 2009-10-15 US disclosed
EP-1833477-A1 PYRAZOLO-HETEROARYL COMPOUNDS USEFUL TO TREAT TNF-ALPHA AND IL-1 MEDIATED DISEASES Novartis AG (CH) 2007-09-19 EP disclosed
WO-2006063820-A1 PYRAZOLO-HETEROARYL COMPOUNDS USEFUL TO TREAT TNF-ALPHA AND IL-1 MEDIATED DISEASES NOVARTIS AG (CH) 2006-06-22 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-20090258874-A1 PYRAZOLO-HETEROARYL COMPOUNDS IL1R1, IL1A, IL1B ALDH1A1 497/4885MAPT 3511/4885SMN1; SMN2 3365/4885

“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.